data_2kyi_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 2kyi _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 ' 22' ' ' ASN . . . . . 0.492 ' HB3' HD22 ' A' ' 75' ' ' LEU . 4.0 t30 . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.746 0.307 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HD3' ' HD3' ' A' ' 57' ' ' LYS . 68.9 mtm180 -78.4 129.63 35.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.427 . . . . 0.0 110.565 173.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -113.39 145.71 40.69 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 93.0 m-85 -97.83 118.33 34.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 tp -114.3 116.26 28.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.927 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.585 ' OG ' ' HB3' ' B' ' 98' ' ' SER . 4.7 p -119.9 132.46 55.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.686 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -133.35 134.37 43.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.766 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -103.16 154.86 18.87 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.81 24.2 21.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.08 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.52 106.58 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -81.01 -38.83 26.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.795 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 56.0 tttm -146.82 150.2 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.462 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.23 139.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 13.2 mm-40 -94.46 -58.9 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.876 0.37 . . . . 0.0 110.348 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 t -143.82 140.3 29.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.479 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -121.41 105.28 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.819 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 14.3 t70 -133.22 136.87 28.09 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.8 Cg_exo -65.05 13.0 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 123.125 2.55 . . . . 0.0 113.771 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' ASP . 19.7 ttmm -129.91 -15.24 3.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.653 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -155.63 111.55 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 110.77 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG12 HD21 ' A' ' 58' ' ' LEU . 45.0 mm -105.59 127.99 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.266 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.41 114.32 24.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.215 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.14 135.56 54.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.874 0.368 . . . . 0.0 110.981 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 8.7 tm-20 -92.33 105.34 17.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 t -125.67 -170.53 2.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' B' ' 93' ' ' ASN . 68.3 mt -51.22 -56.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -88.12 -4.34 58.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -172.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.17 -151.16 23.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.419 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -98.59 125.71 51.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -94.99 118.22 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.441 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.86 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 15.0 m -98.65 106.09 18.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 53.0 mt -95.31 118.68 42.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.516 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -116.6 139.63 50.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.496 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 40' ' ' LYS . . . 170.99 -149.89 13.07 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.21 176.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -124.66 134.75 52.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.577 ' HD3' ' HD3' ' A' ' 23' ' ' ARG . 47.9 tttm 57.2 61.31 2.59 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.589 0.555 . . . . 0.0 110.892 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 HD21 HG12 ' A' ' 42' ' ' ILE . 7.9 mp -89.14 73.16 8.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.359 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.897 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.864 179.275 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.722 -0.151 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.73 136.97 53.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.791 -0.241 . . . . 0.0 110.385 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.21 121.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.097 0.475 . . . . 0.0 110.934 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 50.7 mt-10 -111.19 123.0 49.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.472 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.54 144.51 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.966 0.412 . . . . 0.0 110.852 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -120.54 144.92 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.714 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.29 -179.89 35.51 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.648 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 22' ' ' ASN . 3.4 mp -92.2 85.13 5.36 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' HE2' ' B' ' 152' ' ' TYR . 6.1 pt -68.9 141.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.123 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.58 -48.51 4.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.152 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -161.71 163.31 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.374 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HG ' ' HD2' ' B' ' 152' ' ' TYR . 86.3 mt -125.48 133.55 52.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.86 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.2 t -114.82 111.84 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.941 0.401 . . . . 0.0 110.274 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.493 ' HA ' HD13 ' A' ' 47' ' ' ILE . 17.7 p30 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -83.26 135.43 34.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.943 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -113.68 142.84 45.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.171 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -103.25 112.89 25.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 43.2 tp -105.0 120.67 42.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.604 ' HG ' ' HG2' ' B' ' 142' ' ' GLU . 22.7 t -121.65 122.68 40.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.733 176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 22.4 tp -134.65 136.28 42.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.158 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.518 HG23 ' HB3' ' B' ' 140' ' ' GLN . 74.5 p -98.9 171.82 7.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.17 11.54 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.9 117.66 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -114.01 -28.57 7.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.533 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 61.6 tttm -148.45 129.9 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.02 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.95 114.8 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -102.08 -17.74 15.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.827 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' B' ' 114' ' ' LEU . 39.3 t -164.9 136.19 4.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -140.25 104.0 4.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.21 0.529 . . . . 0.0 110.637 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -133.39 143.01 46.27 Favored Pre-proline 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.67 0.81 0.67 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.345 2.03 . . . . 0.0 113.753 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 39.7 mtpt -123.1 -9.84 8.16 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.731 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 0.6 OUTLIER -164.43 121.84 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.3 mt -127.44 127.73 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' B' ' 107' ' ' SER . 91.4 mt -109.36 106.44 16.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.474 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.51 123.18 49.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 1.7 tm-20 -85.84 109.65 18.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.7 p -109.64 -178.41 3.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.045 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 12.8 mt -38.29 -57.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -170.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.52 14.64 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.9 170.86 44.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.164 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.91 126.18 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' B' ' 152' ' ' TYR . 56.6 tp -95.63 128.72 42.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.648 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.64 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 23.0 t -105.52 110.48 22.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.245 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.6 mt -102.16 110.4 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.731 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 89.2 mttt -112.91 144.53 42.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.654 0.264 . . . . 0.0 110.984 -173.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.46 -138.5 5.31 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 8.4 pt-20 -155.45 148.84 24.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.941 0.4 . . . . 0.0 111.283 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 59.01 40.08 22.69 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.702 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.88 73.36 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.972 -176.884 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.518 ' HB3' HG23 ' B' ' 100' ' ' THR . 4.0 pt20 -123.47 152.1 42.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 110.937 -176.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -114.26 140.8 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.827 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . 0.604 ' HG2' ' HG ' ' B' ' 98' ' ' SER . 49.6 mt-10 -135.36 110.24 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.89 156.57 28.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -129.93 134.57 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.23 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 159.88 -161.22 32.2 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.105 -1.045 . . . . 0.0 112.587 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.93 86.94 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.434 HD12 HD23 ' B' ' 150' ' ' LEU . 17.5 pt -82.97 118.82 31.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 110.29 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.09 -35.88 12.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.287 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -148.27 140.24 23.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.322 0.582 . . . . 0.0 112.157 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.434 HD23 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -115.94 114.77 25.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.142 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 46.0 t -116.64 116.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 0.0 111.954 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.685 ' HE2' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 121.239 0.542 . . . . 0.0 109.547 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.73 111.55 10.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.519 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 94.1 mt-30 -99.69 141.64 32.22 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.737 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 26.9 m-85 -99.5 111.46 23.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD11 HD13 ' B' ' 99' ' ' LEU . 53.6 tp -108.17 116.81 32.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 2.3 p -125.28 131.3 53.1 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' B' ' 96' ' ' PHE . 35.5 tp -136.78 153.52 50.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.697 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 68' ' ' GLY . 49.4 p -111.61 174.93 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.489 176.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.42 22.16 76.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.795 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG21 HG12 ' A' ' 70' ' ' VAL . 57.1 t -81.74 130.94 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.4 m -90.12 -55.56 3.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -165.5 165.25 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.539 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.98 138.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.68 -48.74 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.73 0.3 . . . . 0.0 110.656 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 p -134.6 118.37 17.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.449 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -96.04 102.49 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 0.0 110.345 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.6 m-20 -134.33 136.38 25.78 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.082 173.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 12.5 Cg_exo -70.95 17.02 0.27 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.991 2.461 . . . . 0.0 113.223 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 38' ' ' ASP . 29.5 mtpp -135.32 -31.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.656 0.265 . . . . 0.0 110.862 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 39.7 tt0 -146.73 108.68 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.2 mt -107.63 128.69 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.548 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.23 101.78 11.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.926 0.393 . . . . 0.0 110.167 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.12 123.18 36.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.436 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -91.83 125.05 36.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 0.0 109.786 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -123.81 -163.35 1.13 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.868 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.8 93.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 122.762 0.425 . . . . 0.0 111.6 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 65.0 17.34 11.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.558 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' HA3' ' OH ' ' A' ' 81' ' ' TYR . . . -149.43 172.62 29.42 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.5 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -132.73 129.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.681 0.276 . . . . 0.0 110.363 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.3 tp -105.22 122.44 45.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.732 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.9 m -97.87 114.79 26.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.707 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.0 mm -101.46 115.86 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.433 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 78' ' ' ALA . 46.1 tttp -123.32 134.87 54.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.06 -152.72 20.71 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.124 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -117.99 134.98 54.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.722 0.296 . . . . 0.0 111.018 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.44 63.77 1.77 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -84.71 73.33 10.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.777 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.473 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.382 175.098 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' THR . . . . . . . . 0 C--O 1.227 -0.283 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -86.95 127.89 35.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG12 HG21 ' A' ' 31' ' ' VAL . 12.0 p -130.53 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 37.4 mt-10 -125.87 122.03 34.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.591 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.1 t -107.4 126.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.37 124.49 51.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.18 -173.59 44.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 118.82 -1.657 . . . . 0.0 113.669 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 22' ' ' ASN . 16.3 mt -91.29 67.79 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.564 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 22.1 pt -70.43 142.07 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.305 0.574 . . . . 0.0 110.977 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -118.4 -39.93 2.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 54' ' ' LYS . . . -134.48 135.1 42.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.065 0.459 . . . . 0.0 111.463 -177.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 76' ' ' ILE . 4.4 mm? -116.17 124.78 51.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.538 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.732 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 46.4 t -126.58 133.96 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.803 0.335 . . . . 0.0 111.382 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.471 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 5.4 t80 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -80.0 117.74 21.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -99.69 159.74 14.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.953 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 84.7 m-85 -98.02 112.53 24.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.337 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.3 tp -108.56 106.69 16.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.91 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 0.4 OUTLIER -120.0 122.98 42.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.691 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 26' ' ' LEU . 14.1 tp -134.54 138.32 44.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.613 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 71.4 p -100.95 174.92 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.445 ' HA3' ' HG2' ' A' ' 24' ' ' GLN . . . 84.57 16.08 66.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.819 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.429 HG12 HD23 ' B' ' 115' ' ' LEU . 67.6 t -92.02 121.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 20.0 m -93.74 -39.14 10.92 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.732 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -159.46 145.33 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.64 0.257 . . . . 0.0 110.641 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.29 107.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.36 -55.25 9.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.183 0.516 . . . . 0.0 110.498 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 37.2 t -132.7 123.88 27.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.826 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -113.8 106.47 14.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.033 0.444 . . . . 0.0 111.302 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -133.04 139.79 35.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -53.79 -14.62 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.973 2.448 . . . . 0.0 114.26 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -109.29 -5.56 15.84 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.099 -0.376 . . . . 0.0 111.839 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 32.6 tt0 -171.12 123.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.952 0.406 . . . . 0.0 111.266 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.28 127.34 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.036 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.17 107.06 19.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.419 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.429 HD23 HG12 ' B' ' 102' ' ' VAL . 85.6 mt -100.18 111.18 23.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.731 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.13 122.5 25.7 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.6 p -113.89 178.53 4.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.32 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.53 -46.99 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.08 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.82 30.88 2.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.442 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . 0.66 ' HA3' ' HE1' ' B' ' 152' ' ' TYR . . . -174.92 -167.65 34.49 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.745 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.3 t -135.58 120.75 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.0 tp -96.99 118.91 34.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.01 0.433 . . . . 0.0 110.173 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.633 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 43.5 t -94.73 111.19 22.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.343 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 9.2 mm -91.81 110.18 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.465 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 65.1 mttm -108.67 142.2 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 166.33 -139.38 5.73 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.015 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 58.66 49.4 10.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.916 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.14 71.88 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.128 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.579 -172.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 110.004 -1.239 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -125.86 133.32 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.817 -0.691 . . . . 0.0 109.878 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -107.51 141.86 21.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.184 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -124.97 106.69 10.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.65 120.26 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.91 124.16 51.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.03 -160.5 32.56 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.284 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.38 114.97 27.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.33 136.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -102.13 -51.7 3.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -154.42 153.36 31.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.236 0.541 . . . . 0.0 111.713 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.53 116.76 28.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.68 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 89.6 t -116.1 124.16 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.945 0.402 . . . . 0.0 110.82 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.66 ' HE1' ' HA3' ' B' ' 120' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.319 -0.732 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' B' ' 118' ' ' ILE . 6.2 p-10 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.457 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 31.5 mtp-105 -93.24 104.1 16.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.5 173.32 8.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.329 0.585 . . . . 0.0 111.751 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.973 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 85.6 t80 -120.22 129.02 53.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.366 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -129.08 133.37 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.22 -173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.817 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 21.2 t -131.98 137.4 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.518 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -139.79 149.02 43.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 69' ' ' GLN . 77.3 p -113.34 159.94 18.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.48 5.85 68.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.278 -0.486 . . . . 0.0 112.3 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 70' ' ' VAL . 38.9 t -65.08 128.85 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.0 110.506 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -101.92 -48.67 4.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.695 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -150.64 147.18 27.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 111.266 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.6 t -89.58 108.53 19.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -67.4 -59.56 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.189 0.519 . . . . 0.0 110.64 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -130.11 130.12 44.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.235 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -117.51 104.38 11.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.069 0.462 . . . . 0.0 111.269 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.33 141.78 41.79 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -57.41 -13.4 13.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.847 2.365 . . . . 0.0 113.927 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -108.99 -12.19 14.89 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 40.2 tt0 -162.56 122.07 2.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.197 0.522 . . . . 0.0 111.069 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.98 129.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.304 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 52' ' ' SER . 77.7 mt -99.1 105.83 17.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.967 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.41 107.94 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.655 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 1.5 tm-20 -84.48 110.59 18.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -115.73 145.66 42.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.708 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt 45.51 -81.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 123.833 0.708 . . . . 0.0 112.79 -170.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -151.22 23.88 0.73 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.646 0.736 . . . . 0.0 109.545 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.49 141.16 11.45 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.001 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 22.2 t -94.72 122.14 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 111.106 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -96.37 131.37 42.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.862 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.466 ' HA ' HD21 ' A' ' 43' ' ' LEU . 32.7 t -99.51 112.14 24.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.084 0.468 . . . . 0.0 110.958 -177.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.6 mm -101.07 113.72 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.627 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.719 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 4.3 ttmp? -114.29 139.26 49.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.467 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 75' ' ' LEU . . . 175.73 -138.87 4.39 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.392 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -156.17 146.56 21.62 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 15.3 ttmt 61.55 38.9 15.28 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.4 75.95 0.55 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.139 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.334 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 177.098 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.318 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.531 ' HB2' HG23 ' A' ' 29' ' ' THR . 56.2 tt0 -121.69 140.92 51.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 31' ' ' VAL . 11.2 p -135.74 140.37 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.713 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -136.97 130.76 32.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.107 0.479 . . . . 0.0 110.835 177.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.67 168.29 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.988 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.79 51.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.429 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 23' ' ' ARG . . . 159.97 -170.84 36.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.085 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.534 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 57.4 mt -83.42 111.2 18.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.12 109.84 25.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.234 0.54 . . . . 0.0 110.442 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.32 -51.76 8.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.929 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -137.08 147.88 46.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.671 -174.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.54 112.44 12.09 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.3 t -124.96 112.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 111.669 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.435 ' HB3' ' N ' ' B' ' 150' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -77.34 95.23 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 109.771 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.4 ' OE1' HD11 ' B' ' 147' ' ' ILE . 88.2 mt-30 -95.98 152.0 18.92 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.81 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.48 ' CD1' ' HG2' ' B' ' 144' ' ' GLU . 10.5 m-85 -106.92 112.03 24.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -100.75 107.79 19.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.344 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.817 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 23.3 t -104.8 113.84 27.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.765 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 41.6 tp -115.47 134.06 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.804 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.973 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 86.9 m -127.05 121.26 31.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.26 31.18 1.74 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -90.9 124.87 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.7 m -75.13 -46.87 31.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.003 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -168.63 164.72 12.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.928 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -100.41 140.12 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.632 0.253 . . . . 0.0 110.375 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.429 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 82.4 mt-30 -96.23 -34.46 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.0 110.091 177.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.4 t -161.72 130.68 4.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -119.24 105.1 11.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.93 153.84 76.28 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.653 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.32 7.79 1.07 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.736 2.29 . . . . 0.0 113.629 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' B' ' 129' ' ' LEU . 63.7 mttt -134.26 -31.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 20.8 mt-10 -135.31 115.6 13.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 111.054 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.12 124.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.82 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.18 101.3 12.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.77 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.11 109.66 21.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.697 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.429 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 36.0 tt0 -79.96 106.4 11.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.6 p -93.06 -177.23 4.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.932 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -44.45 -47.31 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 124.059 0.849 . . . . 0.0 112.06 -171.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -145.01 48.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.283 0.563 . . . . 0.0 110.105 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -172.59 -173.18 38.96 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.654 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 59.9 t -138.98 120.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -96.15 111.83 23.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.738 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.3 m -91.74 110.24 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 51.2 mt -93.86 116.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.578 ' HD2' ' HG2' ' B' ' 112' ' ' GLU . 32.5 tptt -113.23 127.79 56.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.03 -148.27 10.3 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.824 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 146' ' ' LEU . 65.4 mm-40 -127.85 137.35 52.31 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.984 0.514 . . . . 0.0 110.386 -176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.2 mttm 58.74 54.74 5.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.089 172.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -78.11 72.6 4.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.506 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.878 -176.248 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 112.959 -0.056 . . . . 0.0 112.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.492 ' HG2' HG22 ' B' ' 100' ' ' THR . 44.7 mt-30 -112.32 110.47 20.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.616 0.245 . . . . 0.0 110.383 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.8 p -137.05 134.34 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.0 111.356 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -119.5 112.54 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.535 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.6 t -102.57 138.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.438 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . 0.48 ' HG2' ' CD1' ' B' ' 96' ' ' PHE . 52.7 mt-10 -118.27 125.03 49.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.655 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.94 -163.53 37.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.107 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 40.9 mt -99.62 93.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.4 HD11 ' OE1' ' B' ' 95' ' ' GLN . 22.1 pt -82.98 115.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.537 0.684 . . . . 0.0 110.675 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.3 -40.34 21.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.25 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.03 163.79 39.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.804 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.435 ' N ' ' HB3' ' A' ' 81' ' ' TYR . 94.7 mt -137.05 124.43 21.97 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.738 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.1 t -109.85 109.61 29.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.191 0.519 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.434 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HA ' HD13 ' B' ' 118' ' ' ILE . 6.3 t30 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.19 121.33 19.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.218 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -97.88 148.8 23.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.807 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -106.32 111.21 23.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB3' HG22 ' A' ' 72' ' ' VAL . 43.3 tp -96.44 113.38 24.95 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.223 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 32.3 m -113.86 113.4 24.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.838 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD12 HD13 ' B' ' 97' ' ' LEU . 26.7 tp -133.91 137.17 44.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 p -100.59 156.07 17.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.14 47.93 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.916 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.677 HG23 HG11 ' A' ' 70' ' ' VAL . 48.6 t -66.95 115.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 109.804 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 m -94.3 -39.44 10.5 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -169.72 163.73 9.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -100.95 138.7 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -96.48 -37.56 10.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -154.47 122.64 6.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -108.47 104.63 14.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 0.0 111.213 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -123.16 142.7 39.06 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.0 Cg_exo -64.96 -11.66 30.79 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.107 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -104.4 -19.27 14.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.877 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.9 tt0 -168.85 121.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.564 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.2 mt -114.81 130.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.693 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.41 102.14 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.75 123.31 42.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.51 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.78 118.1 27.07 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.389 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -101.05 -164.45 1.11 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.41 89.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 O-C-N 123.466 0.479 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 54.96 43.59 29.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.997 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.52 173.58 34.3 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.0 t -134.16 115.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 117.346 0.573 . . . . 0.0 110.861 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 60.5 tp -99.33 113.54 25.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.838 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -90.18 116.5 28.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -103.16 110.59 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HB1' ' A' ' 78' ' ' ALA . 59.4 tttp -110.02 138.89 45.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 166.54 -145.82 10.32 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.192 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -137.62 139.42 40.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.911 0.355 . . . . 0.0 111.466 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt 61.14 52.79 3.83 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.732 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.27 73.04 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.854 -178.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.677 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -144.16 144.23 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.677 HG11 HG23 ' A' ' 31' ' ' VAL . 10.4 p -141.91 137.05 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 0.0 110.621 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -123.3 106.47 10.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 26' ' ' LEU . 35.3 m -109.19 144.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.944 0.402 . . . . 0.0 111.626 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.68 170.78 42.28 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.353 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.3 mt -83.12 77.31 9.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.432 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.3 pt -77.39 143.51 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.826 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.59 -58.84 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.993 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 54' ' ' LYS . . . -122.04 138.41 54.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.695 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.25 114.84 24.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 171.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.838 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 45.8 t -112.96 113.49 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.966 0.412 . . . . 0.0 111.316 -175.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' B' ' 150' ' ' LEU . 4.0 t80 . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.518 ' HB3' HD11 ' B' ' 146' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.431 0.158 . . . . 0.0 110.75 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -60.36 129.7 42.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -128.73 147.59 50.78 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -100.62 123.61 45.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.801 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 28' ' ' LEU . 60.3 tp -118.29 122.55 43.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.857 0.361 . . . . 0.0 110.728 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.605 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 11.3 t -122.56 126.94 48.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.937 177.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.471 HD23 HD22 ' B' ' 122' ' ' LEU . 15.5 tp -124.73 142.71 51.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.035 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 174.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.68 29.56 42.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.754 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.06 117.6 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -77.17 -48.63 17.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.719 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -171.54 173.21 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.966 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.03 136.32 31.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.361 . . . . 0.0 110.658 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.542 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 75.6 mt-30 -89.71 -50.7 5.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.329 0.585 . . . . 0.0 110.31 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m -140.94 126.53 18.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.923 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -112.32 105.48 13.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 0.0 110.269 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 14.5 t70 -130.32 136.85 29.63 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.208 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 34.4 Cg_exo -59.88 -14.59 28.2 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.858 2.372 . . . . 0.0 113.435 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -105.59 -16.61 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.424 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.61 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 39.2 tt0 -165.8 115.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.056 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.4 mt -108.88 136.22 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt -111.1 107.36 16.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.477 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 92.2 mt -94.68 129.09 41.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.767 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.542 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.5 tm-20 -94.39 106.78 18.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' THR . . . . . 0.45 HG22 HD21 ' B' ' 99' ' ' LEU . 64.4 p -107.08 -178.58 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.506 -173.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 22' ' ' ASN . 63.2 mt -22.97 -64.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.13 1.372 . . . . 0.0 113.674 -177.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -142.48 27.27 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.342 0.591 . . . . 0.0 109.662 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.83 -171.54 19.72 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.338 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.49 143.33 40.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' B' ' 152' ' ' TYR . 32.7 tp -118.94 121.92 41.06 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.552 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.5 m -101.59 111.84 24.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.585 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 6.5 mm -97.45 110.88 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -112.51 132.62 55.0 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.742 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.85 -143.79 7.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.6 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -134.25 139.14 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.594 0.235 . . . . 0.0 110.868 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 49.19 62.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.605 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.25 72.68 10.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.676 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.672 -179.596 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.89 140.91 52.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 98' ' ' SER . 93.0 t -132.68 143.9 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.346 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -130.55 119.53 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.82 141.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.87 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.38 139.7 51.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.76 -162.99 35.44 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.147 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 93' ' ' ASN . 2.2 mm? -92.94 85.17 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 33.0 pt -80.16 140.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.66 -48.65 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -133.03 144.84 50.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 0.0 112.086 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 81' ' ' TYR . 3.0 mm? -123.95 124.19 42.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.932 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.6 t -126.62 127.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.591 ' CD2' HD11 ' B' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.409 0.623 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -93.86 142.31 27.52 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.776 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -119.17 143.34 47.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -97.73 112.82 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -99.73 109.36 21.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.546 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 19.5 m -110.21 110.84 21.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.879 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 51' ' ' LEU . 50.2 tp -126.66 135.4 51.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 p -97.93 -179.04 4.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 32.19 83.39 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.637 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' HA ' HG23 ' A' ' 46' ' ' THR . 43.5 t -97.34 116.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.749 0.309 . . . . 0.0 110.333 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -75.12 -47.38 28.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.832 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -169.55 150.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.15 119.69 32.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -73.8 -45.3 52.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.603 0.716 . . . . 0.0 110.147 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.9 t -138.39 127.7 24.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.409 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -120.87 104.16 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 39' ' ' PRO . 19.0 t70 -130.58 147.59 66.62 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.33 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 38' ' ' ASP . 9.4 Cg_endo -51.5 -12.79 1.09 Allowed 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.574 2.849 . . . . 0.0 114.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' A' ' 40' ' ' LYS . 10.7 ptpt -140.19 13.64 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.35 -0.54 . . . . 0.0 112.388 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -156.47 120.7 4.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.619 0.247 . . . . 0.0 110.436 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 53' ' ' ILE . 71.7 mt -134.7 117.63 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.602 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 52' ' ' SER . 98.9 mt -102.03 106.21 17.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.373 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.731 HD13 HD23 ' A' ' 51' ' ' LEU . 85.2 mt -93.72 110.39 22.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.064 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.13 106.15 12.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 31' ' ' VAL . 59.0 p -111.75 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.0 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -33.03 -56.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.323 1.015 . . . . 0.0 113.56 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -140.14 37.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 111.509 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.36 162.02 21.93 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.716 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.06 130.06 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 110.548 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD23 HD13 ' A' ' 44' ' ' LEU . 51.4 tp -94.94 117.18 29.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.767 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.461 ' HA ' HD21 ' A' ' 43' ' ' LEU . 14.3 m -92.09 106.18 18.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.31 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 55.8 mt -97.07 120.29 46.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.277 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 3.8 ttmp? -123.38 135.94 54.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.697 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.56 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 172.59 -149.95 12.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.059 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -135.59 145.49 46.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 122.326 0.25 . . . . 0.0 110.674 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.78 44.23 8.84 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.502 0.501 . . . . 0.0 111.727 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 HD23 HG22 ' A' ' 53' ' ' ILE . 10.3 mp -76.74 73.11 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.468 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.219 -179.019 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -153.42 141.98 20.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.718 -0.284 . . . . 0.0 110.63 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.09 132.75 70.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.231 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.88 107.22 9.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 p -130.01 147.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.653 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -115.39 144.23 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.258 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.67 38.95 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.301 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -96.05 72.86 2.96 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.56 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 13.0 pt -78.53 131.8 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.532 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 15.0 m-20 -97.08 -40.04 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.807 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.32 134.15 35.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 112.14 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -121.38 113.97 20.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 172.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.411 ' O ' HD11 ' A' ' 51' ' ' LEU . 61.9 t -117.29 115.5 48.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.712 0.291 . . . . 0.0 111.483 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.557 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -69.52 130.8 43.46 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.233 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -115.49 143.9 44.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -102.0 112.85 25.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.7 tp -113.41 125.87 54.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.921 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.546 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 30.5 t -124.04 122.12 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.376 175.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.01 138.87 52.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.494 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.519 HG22 ' HG2' ' B' ' 140' ' ' GLN . 65.5 p -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.349 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 9.27 68.54 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.79 139.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.769 0.318 . . . . 0.0 110.248 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.7 p -114.86 -39.56 3.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.441 ' HB2' ' HB3' ' B' ' 116' ' ' GLU . 58.3 mttp -140.12 150.84 44.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.41 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.753 HE21 ' HB2' ' B' ' 116' ' ' GLU . 82.4 mm-40 -63.89 -58.34 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.41 ' OG ' ' HB2' ' B' ' 114' ' ' LEU . 11.9 p -156.65 117.94 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -91.28 107.91 19.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 18.7 t70 -130.78 133.15 24.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.389 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 24.2 Cg_exo -66.37 14.1 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.248 2.632 . . . . 0.0 113.86 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' B' ' 109' ' ' ASP . 67.9 mttm -131.24 -34.22 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.988 0.423 . . . . 0.0 110.052 172.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -139.25 103.25 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 66.4 mt -93.87 114.09 29.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.214 0.53 . . . . 0.0 109.929 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.41 ' HB2' ' OG ' ' B' ' 107' ' ' SER . 81.6 mt -105.18 116.58 32.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.303 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.501 ' C ' HD21 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -132.77 151.08 52.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.366 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.753 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -101.32 127.1 48.09 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 119' ' ' GLN . 5.2 t -123.53 146.62 47.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 47.41 -79.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 117' ' ' THR . 20.0 tt0 -148.75 11.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.495 . . . . 0.0 110.682 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.53 151.61 20.92 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.318 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 42.7 t -93.15 129.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 tt -106.43 146.29 30.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.667 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.667 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 30.2 t -115.66 120.34 39.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 111.404 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.3 mt -104.78 115.42 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.11 135.48 54.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.839 0.352 . . . . 0.0 111.437 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.777 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 171.95 -154.71 22.31 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.056 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -120.77 140.18 52.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.457 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 51.5 tttm 54.96 63.4 2.14 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.441 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.39 72.53 9.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.723 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.119 -174.015 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' B' ' 100' ' ' THR . 26.0 mt-30 -131.71 136.32 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 8.5 p -139.87 129.98 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.298 0.57 . . . . 0.0 111.955 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -111.75 142.9 43.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.934 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 12.7 p -143.56 146.23 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.567 0.222 . . . . 0.0 110.825 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -121.58 131.49 54.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 160.67 -178.97 36.46 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.21 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.452 HD11 ' N ' ' B' ' 146' ' ' LEU . 4.1 mp -87.98 74.1 9.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.05 0.452 . . . . 0.0 110.017 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.777 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 31.8 pt -74.29 132.95 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.422 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.12 -24.52 14.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.09 148.3 25.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.488 0.661 . . . . 0.0 112.134 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.65 120.15 31.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.322 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.5 t -113.14 116.37 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.089 0.471 . . . . 0.0 111.62 -173.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.477 ' HB2' HD22 ' A' ' 75' ' ' LEU . 15.8 m120 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.988 0.423 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -88.92 99.97 12.82 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.742 0.782 . . . . 0.0 109.989 -177.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.488 ' OE1' HD13 ' A' ' 76' ' ' ILE . 78.1 mt-30 -95.05 155.13 16.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.05 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.23 111.68 23.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.0 tp -99.79 107.84 19.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.024 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 15.9 m -110.27 122.81 48.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.937 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 29' ' ' THR . 45.2 tp -137.95 159.79 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.087 0.47 . . . . 0.0 110.624 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -130.18 159.35 37.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.416 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.06 33.02 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.35 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.82 123.76 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -98.38 -33.99 10.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 24.5 ttmt -157.4 153.09 26.66 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.865 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -104.69 121.25 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.29 -49.75 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -147.46 138.12 23.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.721 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -120.34 105.13 10.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.247 0.546 . . . . 0.0 111.059 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -133.91 142.07 42.11 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.82 -10.42 5.47 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.079 2.519 . . . . 0.0 113.413 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -95.6 -31.3 13.35 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 33.6 tt0 -158.97 125.59 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 -174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.5 121.55 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.001 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.94 105.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.553 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -97.75 118.03 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 31.2 tt0 -79.92 112.87 17.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 p -99.69 173.55 6.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.374 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -35.55 -55.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.377 1.048 . . . . 0.0 111.804 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -139.96 72.42 1.4 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.288 0.566 . . . . 0.0 109.644 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.17 -169.38 36.73 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.635 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.3 t -139.03 126.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 tp -96.96 111.18 23.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.694 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 41.3 t -90.39 101.76 14.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.711 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 46.2 mt -89.58 110.39 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -108.73 137.75 46.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 169.82 -138.34 4.98 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.306 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.568 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 25.0 tt0 -157.59 152.29 25.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.568 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 34.7 mmtp 65.8 29.64 10.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.595 0.236 . . . . 0.0 110.473 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 HD22 HG23 ' A' ' 53' ' ' ILE . 8.3 mp -70.49 73.24 0.52 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.611 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.872 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.052 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 112.825 -0.11 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -113.84 124.2 51.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -118.58 134.85 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.007 0.432 . . . . 0.0 111.075 -176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.64 106.28 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.55 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.24 126.0 74.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.653 0.263 . . . . 0.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -115.48 125.79 53.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 172.99 -175.45 45.93 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.923 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 22' ' ' ASN . 42.0 mt -87.3 83.8 7.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.488 HD13 ' OE1' ' A' ' 24' ' ' GLN . 39.4 pt -72.54 145.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.29 0.567 . . . . 0.0 110.587 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 35.2 t70 -113.11 -45.81 3.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.477 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.66 163.45 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.9 mt -131.07 125.74 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.694 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 59.5 t -117.28 128.08 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.603 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -77.84 89.81 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -89.89 146.4 24.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.98 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.97 112.19 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.686 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.7 107.27 18.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.35 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 14.9 m -104.42 122.99 46.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.177 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.553 HD23 HD23 ' B' ' 122' ' ' LEU . 36.0 tp -127.7 132.92 49.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -109.45 125.58 52.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.107 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.55 4.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.172 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.412 HG11 HD21 ' B' ' 115' ' ' LEU . 27.6 t -84.36 144.02 10.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -106.6 -47.8 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.656 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -149.78 146.63 27.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.19 119.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 171.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.517 HE21 ' HB2' ' B' ' 116' ' ' GLU . 73.3 mt-30 -77.47 -41.8 38.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.431 . . . . 0.0 110.43 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -150.96 132.9 15.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.816 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -116.96 105.81 12.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.221 0.534 . . . . 0.0 110.267 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.35 140.71 36.87 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.61 -16.9 11.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.777 2.318 . . . . 0.0 113.522 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -118.74 1.39 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 36.5 tt0 -163.34 120.62 1.86 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.066 0.46 . . . . 0.0 111.7 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.453 HG13 HD22 ' B' ' 129' ' ' LEU . 62.0 mt -116.59 125.11 73.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 94.3 mt -103.33 104.2 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.461 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.467 HD12 HD22 ' B' ' 122' ' ' LEU . 93.3 mt -98.82 115.52 28.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.091 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.517 ' HB2' HE21 ' B' ' 106' ' ' GLN . 41.6 tt0 -83.77 116.16 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.3 t -124.26 -177.75 3.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.76 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.608 HG21 ' HG3' ' B' ' 119' ' ' GLN . 41.2 mt -34.25 -68.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.027 1.331 . . . . 0.0 113.474 -171.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.608 ' HG3' HG21 ' B' ' 118' ' ' ILE . 24.5 mt-30 -129.55 49.28 2.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.736 0.303 . . . . 0.0 110.73 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.87 -169.6 40.89 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.459 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.0 140.23 48.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.553 HD23 HD23 ' B' ' 99' ' ' LEU . 59.6 tp -104.13 114.9 29.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.502 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.6 t -98.78 104.55 16.61 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 24.8 mt -95.23 115.8 35.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.23 140.39 47.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.29 -137.07 4.65 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 156.72 34.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 65.21 32.51 9.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 0.0 110.439 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.453 HD22 HG13 ' B' ' 113' ' ' ILE . 7.9 mp -74.26 75.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.756 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.215 178.145 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -112.11 110.33 20.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 15.0 p -113.16 141.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.064 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -130.75 106.38 8.42 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.18 126.57 56.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 -175.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -113.6 129.32 56.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.599 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.29 38.59 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.532 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 62.3 mt -89.11 86.56 6.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.53 124.38 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.275 0.56 . . . . 0.0 110.646 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -94.8 -47.53 6.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.793 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -150.13 145.51 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.944 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.15 127.51 54.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.753 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.0 t -123.47 123.98 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.077 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.519 -178.721 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 65.1 mtt180 67.34 94.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.346 0.593 . . . . 0.0 109.935 -171.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -106.08 157.89 17.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.98 112.55 24.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.73 109.38 20.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.74 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 m -116.62 131.25 57.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.238 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -140.71 137.6 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.665 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -105.85 148.02 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.787 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 -9.39 33.33 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.701 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.26 129.58 22.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -91.65 -43.98 9.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -166.24 170.6 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.4 t -102.77 129.15 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.889 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -84.89 -57.88 2.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.138 0.494 . . . . 0.0 110.528 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -124.97 132.16 53.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.69 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -123.58 105.33 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 111.133 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -132.73 140.8 38.88 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.15 -6.79 4.09 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.078 2.519 . . . . 0.0 113.62 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.53 0.3 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.81 105.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.819 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.89 132.44 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 52' ' ' SER . 92.5 mt -109.57 104.61 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.489 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 70' ' ' VAL . 93.3 mt -92.99 120.01 32.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.781 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.83 115.1 27.62 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -123.65 -168.57 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.776 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.18 105.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 112.172 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 61.97 18.98 10.37 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.986 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' HA3' ' HH ' ' A' ' 81' ' ' TYR . . . -158.52 157.31 28.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.878 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -121.04 125.31 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 tp -96.38 109.81 22.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.835 0.35 . . . . 0.0 110.239 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.608 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.7 t -89.26 103.49 16.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.116 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.2 mt -95.31 116.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.484 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -126.53 143.59 51.15 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.102 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 164.02 -137.78 4.94 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.245 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 134.82 46.16 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.442 0.297 . . . . 0.0 110.99 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 56.59 60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.776 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.55 72.04 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.644 -178.112 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.19 125.07 17.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG21 HD21 ' A' ' 44' ' ' LEU . 80.3 t -108.04 138.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.52 106.57 6.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.409 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.45 136.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.98 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -120.74 125.55 47.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.461 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 163.49 -166.22 37.12 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.135 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.2 mt -89.24 97.19 11.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -86.36 110.37 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.094 0.473 . . . . 0.0 110.26 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.405 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 1.1 m-20 -86.27 -39.35 16.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.27 161.36 42.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 111.471 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 53' ' ' ILE . 96.9 mt -139.93 118.24 12.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.118 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.608 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -115.21 120.55 64.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HH ' ' HA3' ' A' ' 49' ' ' GLY . 11.9 t80 . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -75.82 112.64 12.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -98.75 135.25 40.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.834 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.47 113.6 25.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.521 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.78 116.7 32.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 11.5 t -113.6 133.57 55.21 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.81 141.2 34.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.679 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 58.7 p -115.53 19.18 15.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -126.85 34.9 3.01 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.668 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 44.3 t -100.08 140.62 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -105.01 -40.28 5.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -165.57 163.09 19.41 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.618 HG13 HD21 ' B' ' 115' ' ' LEU . 33.8 m -100.57 125.64 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.083 0.468 . . . . 0.0 110.13 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -79.75 -55.03 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.216 0.531 . . . . 0.0 110.032 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.1 m -130.8 118.61 21.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.051 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -105.26 105.72 15.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.87 140.43 37.66 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.14 -23.78 30.62 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.851 2.367 . . . . 0.0 113.854 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 30.4 mttp -102.83 -15.21 16.3 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 29.4 tt0 -161.75 117.3 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.198 0.523 . . . . 0.0 111.294 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.91 129.94 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.265 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -100.36 100.43 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.192 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.618 HD21 HG13 ' B' ' 105' ' ' VAL . 95.4 mt -89.14 118.74 29.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.113 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.62 103.93 12.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 57.3 p -84.66 -164.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.29 91.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.454 0.471 . . . . 0.0 110.601 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 62.23 10.93 4.1 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.482 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.94 -172.86 13.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.99 132.18 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.65 0.262 . . . . 0.0 110.473 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 66.2 tp -115.02 116.09 27.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.691 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.5 t -90.31 112.91 24.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 0.0 110.31 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -92.55 116.0 32.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -113.01 138.26 50.15 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.276 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.706 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 160.94 -163.61 34.33 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' B' ' 111' ' ' LYS . 4.0 mp0 -117.08 144.32 44.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.884 0.342 . . . . 0.0 110.687 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 57.31 50.25 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.012 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.12 72.1 1.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.257 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.872 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.757 -178.846 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.41 117.33 33.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.0 p -118.95 151.74 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 0.0 110.951 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -139.37 110.76 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.47 131.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.714 0.292 . . . . 0.0 110.663 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.13 131.72 56.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.2 -174.26 46.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.777 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.4 71.4 3.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.706 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 14.4 pt -75.15 134.52 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.441 0.638 . . . . 0.0 111.834 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.53 -29.76 11.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.887 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . 0.437 ' C ' HD22 ' B' ' 150' ' ' LEU . . . -156.91 160.8 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 112.837 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.497 HD23 HD12 ' B' ' 147' ' ' ILE . 3.8 mm? -136.06 118.04 15.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.564 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.691 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 53.7 t -117.13 113.33 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.943 0.402 . . . . 0.0 111.32 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.402 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 79.9 mtt180 -73.89 108.33 6.64 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.793 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -106.95 143.42 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.656 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.72 112.6 24.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -107.43 133.61 51.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.653 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 32.2 t -132.72 117.05 17.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 tp -124.66 132.42 53.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 69' ' ' GLN . 30.4 p -101.65 122.76 44.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.4 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.17 27.73 1.79 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.05 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 44' ' ' LEU . 61.2 t -94.07 128.15 45.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -100.53 -17.38 17.13 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -169.0 153.59 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.804 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 m -103.94 109.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 76.5 mt-30 -69.9 -55.0 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -174.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 m -133.94 119.74 19.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.013 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -93.33 105.41 17.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.265 0.555 . . . . 0.0 110.035 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 14.6 t70 -131.21 132.98 24.05 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 26.6 Cg_exo -62.89 -9.67 17.44 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.793 2.329 . . . . 0.0 113.453 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -117.95 -1.99 11.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 111.269 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.64 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 44.2 tt0 -168.26 108.1 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.192 0.52 . . . . 0.0 111.498 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.4 HG13 HD22 ' A' ' 58' ' ' LEU . 65.9 mt -104.27 122.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.187 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -94.95 106.46 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 91.6 mt -91.49 122.53 34.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 43.7 tt0 -94.07 116.08 28.47 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -106.76 178.24 4.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.537 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.608 HG13 ' H ' ' A' ' 48' ' ' GLN . 8.2 pt -30.51 -57.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 124.669 1.231 . . . . 0.0 113.033 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.608 ' H ' HG13 ' A' ' 47' ' ' ILE . 24.6 mm-40 -147.8 58.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.355 0.598 . . . . 0.0 110.339 173.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.19 -179.71 41.89 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.923 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.84 121.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 59.3 tp -96.39 107.58 19.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.707 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -89.2 103.15 15.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.64 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 50.4 mt -89.59 114.16 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -109.58 144.99 37.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.62 -146.94 14.73 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.891 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -141.15 154.14 45.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.649 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 11.0 tmtt? 60.77 49.14 6.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.628 0.728 . . . . 0.0 109.04 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 42' ' ' ILE . 7.9 mp -80.7 72.14 7.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.379 0.609 . . . . 0.0 110.277 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.827 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.121 -178.597 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 113.211 0.044 . . . . 0.0 113.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 29' ' ' THR . 15.1 mt-30 -87.58 134.36 33.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.76 0.314 . . . . 0.0 110.585 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.6 122.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.519 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.39 127.37 53.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.04 142.95 37.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.646 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -128.81 136.44 50.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.969 0.414 . . . . 0.0 110.432 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.649 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 154.58 -164.02 31.44 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.574 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.56 67.24 10.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 pt -74.57 118.78 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.395 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -87.92 -55.68 3.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.096 -173.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.6 149.8 39.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.218 0.532 . . . . 0.0 111.56 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.517 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 79.9 mt -115.9 122.39 45.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.013 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.707 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 59.5 t -108.81 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.897 0.379 . . . . 0.0 110.692 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.367 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -81.72 93.2 6.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.259 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.91 141.67 28.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.973 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -98.0 116.71 30.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.7 tp -109.66 110.81 21.96 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 15.4 m -104.28 114.3 28.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.878 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.47 150.69 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.327 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.526 HG21 ' HG2' ' B' ' 140' ' ' GLN . 3.3 p -125.21 158.25 34.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.895 176.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.05 58.74 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.686 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.509 ' O ' ' HA2' ' B' ' 139' ' ' GLY . 57.8 t -58.8 106.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.153 0.501 . . . . 0.0 110.195 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -94.85 -27.1 15.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.547 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 87.9 tttt -158.9 155.24 27.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.638 0.256 . . . . 0.0 110.624 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.22 126.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -92.21 -59.74 2.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.979 0.418 . . . . 0.0 110.908 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -141.23 139.18 33.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.272 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -114.13 105.52 13.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 13.0 t70 -133.79 136.24 26.22 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 42.7 Cg_exo -58.45 -16.01 27.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.672 2.248 . . . . 0.0 113.477 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -108.63 -6.73 15.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 44.5 tt0 -165.21 113.38 1.01 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 111.278 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.476 HG12 HD21 ' B' ' 129' ' ' LEU . 41.0 mm -103.88 125.32 58.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' B' ' 123' ' ' SER . 89.2 mt -102.14 107.18 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.055 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.444 ' HG ' HG22 ' B' ' 113' ' ' ILE . 96.1 mt -108.97 126.28 52.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 27.1 tt0 -87.25 104.65 16.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.2 t -94.5 -163.85 1.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.5 mt -52.44 93.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 61.68 21.24 12.0 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.058 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.65 160.76 28.61 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.107 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.07 125.34 73.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.199 0.5 . . . . 0.0 111.033 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' B' ' 152' ' ' TYR . 41.8 tp -95.99 126.19 41.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.778 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 42.2 t -101.44 106.24 17.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.82 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 57.6 mt -90.66 110.35 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' B' ' 149' ' ' ALA . 50.8 mtmt -105.44 125.55 51.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.669 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 176.07 -143.32 6.46 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.862 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.22 143.17 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 tttm 66.69 43.9 2.32 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.583 0.552 . . . . 0.0 110.647 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.476 HD21 HG12 ' B' ' 113' ' ' ILE . 9.7 mp -73.96 73.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.64 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.212 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.788 -179.801 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' B' ' 102' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.808 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.526 ' HG2' HG21 ' B' ' 100' ' ' THR . 12.5 mt-30 -138.44 136.03 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.443 HG12 HG23 ' B' ' 102' ' ' VAL . 12.8 p -148.81 136.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.142 0.496 . . . . 0.0 111.083 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.51 113.98 21.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.273 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 19.3 m -109.49 151.93 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.44 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.79 139.3 46.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.97 -170.88 41.61 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 60.0 mt -95.57 79.97 3.42 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.669 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 29.1 pt -87.87 139.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.029 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.55 -33.47 9.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.904 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . 0.507 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . . . -161.13 151.07 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 112.14 -177.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 71.9 mt -118.97 132.21 56.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.346 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.778 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 58.7 t -109.72 111.47 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.788 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.586 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.38 177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.3 ptm180 -88.76 137.81 31.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.791 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.438 ' HG3' ' HG1' ' B' ' 100' ' ' THR . 34.2 tt0 -120.55 149.05 43.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.099 -169.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.69 128.18 44.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD13 HD13 ' B' ' 97' ' ' LEU . 34.4 tp -115.7 115.81 26.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -113.71 122.3 46.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -131.65 142.23 49.8 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.778 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.6 p -113.76 150.79 32.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.873 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.1 39.95 6.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.921 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 HG13 ' A' ' 70' ' ' VAL . 48.7 t -99.01 126.91 52.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.512 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -75.53 -51.44 12.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.91 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -172.93 170.95 4.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.101 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.47 117.13 46.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.214 0.531 . . . . 0.0 109.777 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -73.27 -59.2 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -125.74 117.5 23.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.561 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -107.11 106.25 16.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -130.34 139.78 36.66 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.92 -1.89 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.891 2.394 . . . . 0.0 113.748 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -131.97 1.95 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.26 -0.275 . . . . 0.0 111.507 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.14 102.67 1.12 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.147 0.498 . . . . 0.0 110.716 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.438 HG22 ' HG ' ' A' ' 44' ' ' LEU . 60.0 mt -107.22 117.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.996 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -101.35 99.51 9.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.077 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD12 HG11 ' A' ' 70' ' ' VAL . 94.2 mt -95.15 125.56 39.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.08 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -88.99 116.12 27.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.621 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -114.94 -172.59 2.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.177 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.5 mt -32.56 -58.95 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.3 1.04 . . . . 0.0 113.644 -169.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -139.29 24.76 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.496 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 177.93 34.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.563 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.86 126.93 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -96.37 119.84 35.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.638 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 10.8 m -95.87 103.98 15.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.035 0.445 . . . . 0.0 110.548 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.442 HG21 HD23 ' A' ' 58' ' ' LEU . 48.4 mt -101.23 117.01 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.708 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -128.21 153.38 46.99 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.296 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.47 -144.83 10.81 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.116 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 54.1 mm-40 -118.08 135.28 54.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.192 0.197 . . . . 0.0 110.943 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.29 45.88 10.82 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 HD23 HG21 ' A' ' 53' ' ' ILE . 9.7 mp -74.58 72.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.05 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.402 -173.067 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -129.94 144.93 51.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 HG23 ' A' ' 31' ' ' VAL . 14.6 p -141.93 143.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.716 0.293 . . . . 0.0 110.416 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.51 106.04 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.007 0.432 . . . . 0.0 110.062 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.45 173.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -139.81 161.15 38.25 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.995 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.73 33.08 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.592 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 7.8 mt -95.61 76.4 3.28 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 pt -67.06 134.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.302 0.572 . . . . 0.0 111.034 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.37 -43.6 6.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.76 147.23 24.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.433 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.27 117.81 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.638 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 57.4 t -114.42 118.77 59.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 111.348 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.92 137.11 41.47 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -107.89 151.19 26.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.965 0.412 . . . . 0.0 110.945 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -104.29 112.28 25.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.075 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.498 ' HB3' ' CG1' ' B' ' 143' ' ' VAL . 55.7 tp -108.83 120.56 42.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.82 0.343 . . . . 0.0 110.219 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 19.0 m -108.14 115.63 30.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.217 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 tp -112.47 125.66 54.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.83 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.438 ' HG1' ' HG3' ' A' ' 24' ' ' GLN . 61.7 p -99.6 113.68 26.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.727 0.299 . . . . 0.0 111.623 -175.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.83 49.01 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.131 -1.033 . . . . 0.0 112.868 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.472 HG12 HD21 ' B' ' 115' ' ' LEU . 48.7 t -103.3 121.94 55.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -93.36 -39.3 11.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -141.7 142.91 33.34 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.085 -174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.65 111.94 34.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -74.0 -32.98 63.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -152.56 129.39 10.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.091 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -110.75 103.33 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.169 0.509 . . . . 0.0 110.402 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 27.7 t70 -135.23 135.95 23.63 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.17 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 26.7 Cg_exo -63.44 -1.42 3.12 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.89 2.393 . . . . 0.0 113.983 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.556 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 44.8 mmtm -111.76 -19.68 12.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 111.471 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 24.9 tp10 -159.27 116.72 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.57 127.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.602 0.239 . . . . 0.0 110.491 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.1 mt -104.74 101.75 11.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.621 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.472 HD21 HG12 ' B' ' 102' ' ' VAL . 87.3 mt -94.73 124.73 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -89.26 105.85 18.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.7 t -123.47 -164.97 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 47.3 mt -53.32 98.11 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.186 0.594 . . . . 0.0 112.461 -174.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 56.84 26.79 12.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . 0.443 ' HA3' ' OH ' ' B' ' 152' ' ' TYR . . . -165.48 171.31 40.7 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.85 126.71 68.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.31 122.25 38.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.581 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 23.1 m -95.08 102.89 14.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.004 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.47 HG21 HD22 ' B' ' 129' ' ' LEU . 47.2 mt -93.28 112.28 26.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.09 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -105.42 136.86 44.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.596 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 165.47 -162.19 35.57 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.292 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.567 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 33.1 mt-10 -121.89 150.86 41.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.48 0.181 . . . . 0.0 110.849 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.567 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 11.6 mptt 63.68 29.54 14.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.47 HD22 HG21 ' B' ' 124' ' ' ILE . 6.2 mp -69.88 73.94 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.483 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.761 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.181 177.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -89.39 130.44 35.75 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.57 128.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.009 0.433 . . . . 0.0 111.305 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.09 106.99 17.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.087 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' B' ' 97' ' ' LEU . 7.1 p -102.53 132.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 110.214 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.52 125.67 52.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.359 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.36 174.42 39.05 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.484 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.446 HD11 ' HD3' ' B' ' 128' ' ' LYS . 5.3 mp -91.52 87.83 6.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.596 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 30.4 pt -79.98 131.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.363 0.602 . . . . 0.0 111.621 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . 0.469 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 14.9 m-20 -83.89 -39.82 19.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.36 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -164.06 154.29 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.5 120.53 39.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 43.6 t -115.16 132.2 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.83 0.347 . . . . 0.0 111.041 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.443 ' OH ' ' HA3' ' B' ' 120' ' ' GLY . 6.7 t80 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.739 0.304 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -72.21 117.45 13.86 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 120.834 0.349 . . . . 0.0 110.545 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.498 HE22 ' HB ' ' B' ' 117' ' ' THR . 88.9 mt-30 -105.87 163.93 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.657 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 49.1 t80 -121.42 126.93 50.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.922 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.75 125.46 52.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.906 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 33.0 t -118.47 110.55 17.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD22 HG21 ' A' ' 31' ' ' VAL . 34.3 tp -110.45 124.57 52.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.766 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 48.6 m -112.43 99.04 7.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 -176.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.17 22.34 0.22 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.463 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 HD22 ' A' ' 28' ' ' LEU . 45.3 t -79.26 135.03 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -90.43 -51.45 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.37 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -145.86 165.46 28.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 111.529 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 HG13 HD22 ' A' ' 44' ' ' LEU . 17.8 m -105.23 118.9 53.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.114 168.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -82.71 -41.44 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 110.712 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' HD12 ' A' ' 43' ' ' LEU . 26.7 t -150.22 154.05 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -134.02 104.09 6.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.877 0.37 . . . . 0.0 110.24 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.6 m-20 -122.05 146.68 47.08 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 28.0 Cg_exo -62.12 -12.02 24.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -125.37 8.11 7.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 36.8 tt0 -165.69 105.32 0.71 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.932 0.396 . . . . 0.0 111.324 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 HG12 HD23 ' A' ' 58' ' ' LEU . 50.4 mm -105.57 123.3 59.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 36' ' ' SER . 84.2 mt -101.97 102.7 13.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 0.0 110.727 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD22 HG13 ' A' ' 34' ' ' VAL . 85.5 mt -100.57 127.94 46.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.16 116.52 27.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -118.89 -162.58 0.91 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.696 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -41.81 92.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.012 0.925 . . . . 0.0 112.429 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 49.74 24.5 1.25 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.883 0.873 . . . . 0.0 112.244 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.9 -173.28 22.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.215 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.74 140.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 tp -110.9 123.53 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.416 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.89 107.55 19.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.26 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 53.0 mt -89.31 115.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HZ3' ' HB2' ' A' ' 41' ' ' GLU . 32.5 mmmt -111.3 140.91 45.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.549 ' HA2' ' OD2' ' A' ' 77' ' ' ASP . . . 163.26 -152.19 22.15 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -132.43 146.25 51.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.026 0.413 . . . . 0.0 109.997 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.06 49.69 7.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.407 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.403 HD23 HG12 ' A' ' 42' ' ' ILE . 10.1 mp -72.34 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.445 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 CA-C-N 115.804 -0.634 . . . . 0.0 113.701 -173.77 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.754 -0.138 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.425 ' HG2' HG23 ' A' ' 29' ' ' THR . 50.7 mt-30 -81.72 119.89 24.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.35 . . . . 0.0 111.425 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.02 119.1 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -126.1 120.41 30.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.67 150.91 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.575 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.4 138.77 47.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -168.01 40.26 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.026 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.15 74.7 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 28.2 pt -76.95 122.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 0.0 110.868 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.549 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 48.4 m-20 -87.76 -40.98 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.384 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.7 152.27 26.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.359 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.499 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 84.2 mt -116.06 113.96 23.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.2 t -109.66 112.38 40.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 110.898 -175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.414 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 9.7 t80 . . . . . 0 C--N 1.316 -0.853 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.231 0.081 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.1 132.61 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.387 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 29' ' ' THR . 14.2 tt0 -127.25 153.84 45.62 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.887 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.766 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 48.6 m-85 -101.67 115.78 31.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.729 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.8 tp -111.24 109.76 19.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.918 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.906 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 4.8 m -111.5 112.78 24.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 tp -106.67 127.82 53.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.657 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 20.9 m -114.41 109.83 18.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.091 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 29.08 0.68 Allowed Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.844 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.62 144.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.3 m -107.88 -39.76 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.06 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -168.31 165.14 13.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 p -105.5 137.3 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.791 0.329 . . . . 0.0 110.266 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.44 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 45.3 mt-30 -90.49 -56.0 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.57 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.487 ' HB2' HD12 ' B' ' 114' ' ' LEU . 23.4 m -136.59 137.09 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.426 ' CD2' HD12 ' B' ' 113' ' ' ILE . 37.3 t80 -127.02 106.12 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.186 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.42 148.57 70.2 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 -17.99 51.43 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.695 2.263 . . . . 0.0 113.065 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -103.21 -15.23 16.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 43.6 tt0 -157.31 118.5 3.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.164 0.506 . . . . 0.0 111.591 -174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.505 HG12 HD22 ' B' ' 129' ' ' LEU . 49.0 mm -109.13 123.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.599 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 107' ' ' SER . 94.9 mt -108.33 96.16 6.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.866 0.365 . . . . 0.0 110.445 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 93.7 mt -89.9 142.41 27.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.44 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.0 tm-20 -112.99 118.54 35.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' THR . . . . . 0.498 ' HB ' HE22 ' A' ' 24' ' ' GLN . 47.5 p -109.38 -174.34 2.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 20.1 pt -34.98 -43.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.063 0.945 . . . . 0.0 113.41 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -158.98 30.8 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.441 . . . . 0.0 110.228 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -148.93 172.22 29.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.743 -1.217 . . . . 0.0 113.133 -174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.72 139.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.164 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 66.2 tp -115.07 110.49 19.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.033 176.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -95.85 102.67 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.297 0.57 . . . . 0.0 110.241 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 41.3 mt -96.64 126.8 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.217 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -127.42 145.6 50.77 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 160.83 -142.42 8.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.578 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.67 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 45.2 mm-40 -123.92 136.51 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.626 0.251 . . . . 0.0 111.101 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.67 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 2.2 mptp? 54.03 51.4 14.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.74 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.505 HD22 HG12 ' B' ' 113' ' ' ILE . 7.1 mp -76.08 73.01 2.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.473 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.01 -179.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.546 ' HB2' HG23 ' B' ' 100' ' ' THR . 50.2 tt0 -123.54 138.81 54.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.328 . . . . 0.0 110.636 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.43 136.32 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' B' ' 98' ' ' SER . 9.1 mp0 -106.38 118.55 36.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.08 146.05 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 110.463 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -119.92 139.58 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 174.68 -179.35 46.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.538 -1.315 . . . . 0.0 112.963 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.454 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 12.6 mt -95.02 89.09 5.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.27 118.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.527 0.68 . . . . 0.0 111.775 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.51 -43.46 12.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.76 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -156.08 164.25 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.905 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.414 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 96.1 mt -138.09 116.95 12.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.044 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.61 119.36 60.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.545 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.499 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 2.5 t80 . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 15.6 ptp180 -69.53 108.26 3.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 109.63 174.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.526 HE21 ' HA3' ' B' ' 101' ' ' GLY . 51.8 mt-30 -109.35 172.97 6.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.609 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -105.97 112.92 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.005 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -109.94 119.0 37.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.741 0.305 . . . . 0.0 110.384 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.631 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 23.3 m -122.27 121.43 36.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.235 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -133.66 138.25 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.9 p -106.85 161.13 14.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.371 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.8 9.11 53.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.15 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.1 119.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -91.55 -30.53 16.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -165.15 148.73 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.983 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.82 123.36 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 mm100 -81.74 -55.99 4.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.921 -176.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -147.47 127.28 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -104.6 104.44 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 40' ' ' LYS . 9.0 m-20 -132.63 138.91 33.1 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.572 175.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 15.6 Cg_exo -69.2 9.25 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.863 2.375 . . . . 0.0 112.166 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.2 mmtt -118.43 -16.16 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 9.6 tp10 -175.38 114.19 0.14 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.84 -173.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.596 HG22 ' HG ' ' A' ' 44' ' ' LEU . 58.2 mt -114.1 122.31 67.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.062 0.458 . . . . 0.0 110.478 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 35' ' ' GLN . 97.3 mt -102.29 105.13 15.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.2 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.596 ' HG ' HG22 ' A' ' 42' ' ' ILE . 94.9 mt -112.2 118.04 34.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.712 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 38.8 tt0 -88.76 112.47 23.22 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.542 0.687 . . . . 0.0 110.238 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -92.72 -161.43 0.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.379 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.647 HG21 HD21 ' B' ' 93' ' ' ASN . 11.2 mm -50.97 90.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 57.83 27.46 14.57 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.384 0.674 . . . . 0.0 111.536 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.61 4.98 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.693 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 30.8 t -95.82 127.09 48.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.226 0.513 . . . . 0.0 110.626 -176.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.9 tp -96.59 122.27 39.33 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.505 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.5 t -101.44 113.36 26.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.9 mt -109.92 109.64 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.34 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HB3' ' HB1' ' A' ' 78' ' ' ALA . 2.2 tmmt? -105.1 139.55 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.882 0.372 . . . . 0.0 110.409 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 172.0 -151.74 15.6 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.89 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.08 150.99 41.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.475 0.179 . . . . 0.0 110.767 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.64 30.09 19.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.43 0.633 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . 11.5 tp -79.35 72.65 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.623 -1.172 . . . . 0.0 111.184 -175.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.79 -177.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 112.141 -0.384 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.33 116.26 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' SER . 8.6 p -108.26 136.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.498 -176.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.44 112.22 16.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.858 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.5 144.79 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.76 0.314 . . . . 0.0 111.145 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -111.95 154.22 25.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 142.88 179.29 19.5 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.527 170.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 22' ' ' ASN . 61.2 mt -79.6 86.6 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.929 -0.396 . . . . 0.0 109.929 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.0 pt -77.01 121.05 28.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.269 0.556 . . . . 0.0 110.182 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.75 -44.66 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.859 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 54' ' ' LYS . . . -136.23 135.35 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.173 0.511 . . . . 0.0 111.857 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 4.5 mm? -115.96 119.11 34.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.776 173.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 57.8 t -125.96 126.45 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 6.2 t80 . . . . . 0 C--N 1.321 -0.662 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.647 HD21 HG21 ' A' ' 47' ' ' ILE . 11.2 t-20 . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -76.05 99.56 4.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.768 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -97.54 149.75 21.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.011 0.434 . . . . 0.0 111.383 -170.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.22 115.08 29.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.845 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -108.37 109.41 20.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.993 0.425 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.631 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 42.0 m -106.15 111.7 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.909 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.0 tp -118.45 126.54 52.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.418 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 28.2 m -108.19 113.32 26.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.526 ' HA3' HE21 ' A' ' 24' ' ' GLN . . . 136.49 8.86 1.44 Allowed Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.105 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.55 129.59 36.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -89.77 -44.02 10.27 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.929 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -166.52 172.26 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.762 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 115' ' ' LEU . 29.0 m -104.58 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -93.89 -54.0 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.265 0.555 . . . . 0.0 109.657 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -138.34 121.86 17.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.266 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -110.68 104.57 13.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -133.68 140.26 36.17 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.484 ' O ' ' HA ' ' B' ' 127' ' ' GLU . 50.2 Cg_exo -55.15 -18.33 17.47 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 113.581 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 23.8 mmtp -91.98 -21.96 20.25 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 37.4 tt0 -166.37 112.77 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.139 0.495 . . . . 0.0 110.411 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.52 119.86 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.207 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.17 99.93 11.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.153 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.457 HD21 HG12 ' B' ' 105' ' ' VAL . 90.5 mt -93.83 124.54 37.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.855 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -88.45 107.94 19.13 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.0 t -119.15 145.26 46.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 46.4 mm 51.0 -85.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 123.509 0.505 . . . . 0.0 111.094 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -155.36 43.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . 0.592 ' HA3' ' HH ' ' B' ' 152' ' ' TYR . . . -151.48 -179.89 27.55 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.165 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 25.9 t -122.18 128.89 75.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 117.06 0.43 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 63.6 tp -105.68 117.81 34.98 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 11.1 m -94.61 104.7 16.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 62.2 mt -91.92 109.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -103.35 143.79 32.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.174 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.588 ' O ' ' HA ' ' B' ' 111' ' ' LYS . . . 155.05 -143.31 9.79 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 110' ' ' PRO . 13.6 pt-20 -161.02 170.4 20.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm 63.26 26.93 15.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.048 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.3 73.96 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.07 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.9 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.655 -178.22 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 35.5 tt0 -92.46 127.74 38.06 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.391 -0.476 . . . . 0.0 110.542 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 14.0 p -134.5 140.24 46.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -122.64 116.65 24.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.605 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.16 131.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -114.88 125.23 53.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.876 0.369 . . . . 0.0 110.403 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -177.53 -177.55 46.46 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.985 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.485 HD22 ' OD1' ' B' ' 93' ' ' ASN . 44.9 mt -85.74 90.37 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.37 115.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.449 0.642 . . . . 0.0 110.84 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.33 -48.87 18.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -157.8 148.38 20.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.727 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.457 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 94.8 mt -116.09 114.34 24.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.23 128.96 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.592 ' HH ' ' HA3' ' B' ' 120' ' ' GLY . 4.9 t80 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HA ' HD13 ' B' ' 118' ' ' ILE . 5.1 m120 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 73.99 140.46 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.883 0.739 . . . . 0.0 111.507 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -124.02 143.36 50.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.1 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.49 112.95 25.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 172.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.401 HD11 HD13 ' B' ' 99' ' ' LEU . 59.5 tp -119.07 132.99 56.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 0.0 110.849 -175.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.4 ' HB2' ' OG ' ' B' ' 98' ' ' SER . 15.5 m -128.22 141.46 51.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.098 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 46' ' ' THR . 22.1 tp -136.33 152.21 50.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' B' ' 96' ' ' PHE . 7.7 m -125.38 149.5 48.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.59 0.233 . . . . 0.0 110.92 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.74 10.96 54.81 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.91 125.58 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.286 0.565 . . . . 0.0 111.314 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 t -83.7 -52.92 6.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.059 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 45' ' ' GLU . 22.5 pttm -168.09 172.74 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.219 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.454 HG12 HD22 ' A' ' 44' ' ' LEU . 29.8 m -95.9 135.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.098 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.8 mm100 -81.68 -57.4 3.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.444 0.64 . . . . 0.0 109.287 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.5 m -132.8 116.18 16.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.099 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -101.44 104.3 15.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -131.07 146.6 62.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.669 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.96 -17.36 43.98 Favored 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.86 2.373 . . . . 0.0 112.587 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 8.7 mtpm? -108.94 -6.14 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.1 tt0 -169.24 123.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.0 111.199 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.405 HD11 HG11 ' A' ' 72' ' ' VAL . 67.5 mt -119.74 114.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.343 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 52' ' ' SER . 97.2 mt -91.21 114.09 26.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.93 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.572 HD11 HG13 ' A' ' 70' ' ' VAL . 95.6 mt -102.91 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.684 -175.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 36.8 tt0 -90.48 100.76 13.54 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.483 HG21 HD21 ' A' ' 28' ' ' LEU . 9.9 t -124.84 147.09 48.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.938 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mm 43.27 -86.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.809 0.844 . . . . 0.0 113.148 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.665 HE21 ' HA ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -141.12 13.35 2.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.581 -178.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.76 156.9 26.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.704 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.4 t -105.92 124.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.308 . . . . 0.0 110.199 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 81' ' ' TYR . 44.1 tp -95.99 126.77 41.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.599 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 16.0 m -98.66 101.38 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.336 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 63.2 mt -91.12 110.54 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG2' ' OE1' ' A' ' 41' ' ' GLU . 63.5 mttm -105.34 146.32 29.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.62 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.26 -138.33 5.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.425 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -158.64 152.79 23.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 59.16 43.29 17.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.419 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.93 73.38 2.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.982 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.438 -178.384 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -129.63 160.25 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.796 0.332 . . . . 0.0 110.64 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 44' ' ' LEU . 9.1 p -138.47 138.67 42.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -138.45 107.03 5.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG11 HD11 ' A' ' 42' ' ' ILE . 63.3 t -131.3 144.72 36.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.461 -174.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.62 169.86 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.89 -164.73 24.97 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.477 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.14 82.66 5.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.776 0.322 . . . . 0.0 110.394 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -76.89 131.58 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.187 0.517 . . . . 0.0 110.162 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -94.84 -43.77 8.06 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.989 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.602 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -157.3 158.23 35.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.002 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -127.01 138.61 53.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.599 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.1 t -134.66 127.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.026 0.441 . . . . 0.0 112.141 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CE2' HD11 ' A' ' 51' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.379 167.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.518 -0.262 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.476 ' HG2' ' HA2' ' B' ' 145' ' ' GLY . 35.9 mtt180 -69.64 99.81 1.37 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.619 170.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' B' ' 144' ' ' GLU . 69.0 mt-30 -89.92 154.55 19.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.41 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 95.2 m-85 -96.61 112.74 24.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 48.1 tp -111.42 109.13 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 34.2 p -118.14 119.88 36.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.465 HD22 HD22 ' B' ' 122' ' ' LEU . 48.2 tp -125.03 148.53 48.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.956 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 21.9 p -98.87 -173.37 2.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' B' ' 117' ' ' THR . . . 69.35 13.79 68.18 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.346 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.467 HG22 HG12 ' B' ' 141' ' ' VAL . 42.6 t -72.7 111.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.21 0.528 . . . . 0.0 110.108 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -95.58 -33.96 12.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.93 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -168.53 162.41 12.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.018 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.57 118.73 53.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.997 0.427 . . . . 0.0 109.986 172.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.2 -41.44 63.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.5 t -150.94 127.16 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.75 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -115.37 105.14 12.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.221 0.534 . . . . 0.0 111.178 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' B' ' 111' ' ' LYS . 2.6 m-20 -126.56 150.45 70.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.576 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 28.8 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.158 2.572 . . . . 0.0 112.273 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 109' ' ' ASP . 18.6 ptpt -157.94 -34.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.605 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 13.1 tp10 -137.42 117.24 13.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.712 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.42 HD11 HD21 ' B' ' 129' ' ' LEU . 62.8 mt -123.81 121.77 63.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.846 0.355 . . . . 0.0 110.658 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 71.4 mt -101.01 100.61 11.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.205 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -95.43 122.16 37.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.41 122.74 33.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 49.3 p -121.74 -179.07 3.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.633 -171.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 22' ' ' ASN . 21.8 pt -33.15 -48.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.826 1.251 . . . . 0.0 114.209 -174.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.431 ' N ' HG13 ' B' ' 118' ' ' ILE . 29.7 tt0 -155.71 49.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.52 171.74 39.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.321 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -124.04 130.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.465 HD22 HD22 ' B' ' 99' ' ' LEU . 59.4 tp -97.2 123.74 41.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.59 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.857 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 47.4 t -98.59 104.46 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.731 176.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.544 ' HA ' HD13 ' B' ' 150' ' ' LEU . 38.3 mt -93.08 110.96 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.429 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 64.3 mttm -111.53 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.832 -177.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.54 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 176.1 -139.34 4.55 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -162.09 161.04 28.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 61.72 38.5 15.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.234 0.54 . . . . 0.0 110.228 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.42 HD21 HD11 ' B' ' 113' ' ' ILE . 8.1 mp -71.49 73.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.17 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.03 -179.026 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.36 149.73 31.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.467 HG12 HG22 ' B' ' 102' ' ' VAL . 9.3 p -141.52 134.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.988 0.423 . . . . 0.0 111.227 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.66 114.71 27.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.387 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.84 149.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.497 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' B' ' 95' ' ' GLN . 2.7 pp20? -130.34 130.18 44.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.086 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . 0.476 ' HA2' ' HG2' ' B' ' 94' ' ' ARG . . . 173.15 -171.15 44.26 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.057 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 70.2 mt -86.88 97.96 10.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.7 pt -97.29 125.38 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.046 0.45 . . . . 0.0 111.191 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . 0.54 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 13.3 m-20 -89.08 -51.97 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.352 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 81' ' ' TYR . . . -145.22 143.5 30.31 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.163 0.506 . . . . 0.0 111.771 -174.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' B' ' 124' ' ' ILE . 3.9 mm? -118.99 117.3 28.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.0 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.857 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.1 t -109.67 124.99 66.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.031 0.443 . . . . 0.0 111.531 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.602 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 10.6 ptm180 -65.62 141.27 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.179 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -120.18 148.74 43.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -173.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.5 112.84 24.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.635 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.1 tp -104.6 111.36 24.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.098 0.475 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.644 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 14.9 t -113.25 127.58 56.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.56 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD22 HD21 ' A' ' 51' ' ' LEU . 37.0 tp -141.08 152.52 44.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -120.67 153.32 37.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.41 23.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.958 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.56 120.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t -75.01 -45.26 43.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -163.91 161.12 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.698 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.35 118.85 47.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -74.36 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.121 0.486 . . . . 0.0 110.244 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 p -137.74 122.84 19.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.427 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -102.04 104.44 15.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 12.5 t70 -132.49 133.58 23.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.95 -9.5 10.02 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.009 2.473 . . . . 0.0 113.948 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -111.03 -16.26 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.324 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 30.6 tt0 -163.27 104.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.073 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.27 123.14 59.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.395 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -101.17 101.55 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.44 . . . . 0.0 110.265 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.89 113.23 25.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.32 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HG3' HG22 ' A' ' 50' ' ' VAL . 37.4 tt0 -76.44 102.3 5.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -100.24 172.35 7.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.371 -173.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' B' ' 93' ' ' ASN . 0.9 OUTLIER -56.08 109.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 70.1 -4.68 1.46 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.866 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.443 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -157.67 136.15 4.7 Favored Glycine 0 C--O 1.219 -0.804 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.935 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' HG3' ' A' ' 45' ' ' GLU . 49.0 t -88.59 126.9 41.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.929 0.365 . . . . 0.0 110.382 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD21 HD22 ' A' ' 28' ' ' LEU . 54.8 tp -93.2 119.45 32.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.259 0.552 . . . . 0.0 110.095 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.959 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -101.67 109.68 21.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.104 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.483 HG21 HD21 ' A' ' 58' ' ' LEU . 34.3 mt -102.2 111.29 31.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.15 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -109.77 138.57 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.09 -138.67 4.78 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.958 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 tt0 -151.18 140.79 21.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.545 ' HE2' ' HG2' ' A' ' 56' ' ' GLU . 1.5 mppt? 65.96 31.69 8.99 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.822 0.449 . . . . 0.0 111.713 -178.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 53' ' ' ILE . 7.7 mp -72.22 75.26 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.744 0.418 . . . . 0.0 111.837 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.566 -179.632 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -108.48 121.16 44.38 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.97 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -125.67 105.26 8.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.29 137.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.1 148.03 36.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.75 175.46 37.59 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.01 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 23' ' ' ARG . 4.7 mp -95.76 90.49 5.68 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.5 pt -69.79 139.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.303 -171.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.22 -41.4 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.68 153.7 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.47 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD11 HD22 ' B' ' 122' ' ' LEU . 74.2 mt -116.34 128.29 55.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.959 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 71.4 t -117.34 116.23 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.01 0.433 . . . . 0.0 110.929 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.537 ' HA ' HD13 ' A' ' 47' ' ' ILE . 37.2 m-80 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.837 0.351 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 36.8 mtp-105 -80.16 107.28 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -101.59 142.59 32.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.35 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 83.9 m-85 -97.76 116.45 29.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.8 tp -112.45 112.76 24.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 32.4 t -112.7 135.07 53.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.761 176.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 tp -142.77 149.67 39.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.949 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.464 HG22 ' HB3' ' B' ' 140' ' ' GLN . 49.8 p -116.94 170.64 8.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.662 0.267 . . . . 0.0 110.543 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.33 16.74 73.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.839 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.553 HG21 HG11 ' B' ' 141' ' ' VAL . 38.4 t -74.51 115.7 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.274 0.559 . . . . 0.0 110.455 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -83.06 -38.18 22.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.182 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 9.5 ttmm -165.92 161.86 17.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.464 ' N ' ' HG2' ' B' ' 104' ' ' LYS . 7.5 m -104.3 104.83 17.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.418 ' HB2' ' HB2' ' B' ' 114' ' ' LEU . 77.7 mt-30 -74.77 -49.85 19.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.31 -171.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -123.68 129.38 51.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -121.15 102.84 8.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.481 0.658 . . . . 0.0 110.524 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -133.86 142.57 44.05 Favored Pre-proline 0 C--N 1.316 -0.889 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.94 -23.67 9.32 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.562 2.175 . . . . 0.0 113.458 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.34 0.73 12.29 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -157.67 121.27 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.39 128.81 48.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.095 0.474 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.551 HD22 ' HA ' ' B' ' 123' ' ' SER . 88.8 mt -101.67 107.44 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.316 176.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.0 110.99 22.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.661 0.267 . . . . 0.0 110.485 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.36 114.04 13.44 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.1 t -122.14 -176.72 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.767 0.318 . . . . 0.0 110.305 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.72 117.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.98 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 71.32 7.54 6.11 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.037 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.68 -174.1 38.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.756 -1.211 . . . . 0.0 113.253 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 138.28 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.621 HD21 ' HD2' ' B' ' 152' ' ' TYR . 0.1 OUTLIER -96.06 105.45 17.49 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.925 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 33.4 t -86.84 101.54 13.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.468 HG22 HD22 ' B' ' 129' ' ' LEU . 32.4 mt -97.91 114.43 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -113.69 134.86 54.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 174.24 -137.59 4.05 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -151.39 149.42 29.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.029 0.414 . . . . 0.0 110.597 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 63.62 41.8 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.731 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.468 HD22 HG22 ' B' ' 124' ' ' ILE . 11.0 mp -76.42 72.74 3.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.763 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.366 178.788 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.464 ' HB3' HG22 ' B' ' 100' ' ' THR . 20.5 pt20 -138.1 149.37 45.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.553 HG11 HG21 ' B' ' 102' ' ' VAL . 14.4 p -132.0 147.06 32.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.402 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -131.85 106.73 8.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.85 158.62 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.81 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.13 127.26 26.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.237 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.68 -167.59 39.11 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.72 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.66 99.02 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.2 pt -93.6 150.89 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.138 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.87 -45.09 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.928 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -140.83 145.47 36.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.965 0.412 . . . . 0.0 111.708 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 98.6 mt -122.42 116.05 23.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.925 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.9 t -109.09 121.86 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.743 0.306 . . . . 0.0 110.848 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.621 ' HD2' HD21 ' B' ' 122' ' ' LEU . 30.7 t80 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.526 ' HB3' HD13 ' A' ' 75' ' ' LEU . 27.8 t-20 . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.47 0.176 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 53.0 mtt180 -56.77 106.84 0.34 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.21 168.85 9.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 32.0 t80 -123.2 122.02 37.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.088 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD13 HD13 ' B' ' 97' ' ' LEU . 55.6 tp -123.82 126.14 45.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 28.9 t -121.33 117.67 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD21 HG21 ' A' ' 46' ' ' THR . 33.0 tp -112.85 125.9 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.222 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 69' ' ' GLN . 21.1 m -109.65 113.13 25.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.72 34.85 0.16 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.905 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 HG11 ' A' ' 70' ' ' VAL . 45.3 t -99.39 125.11 53.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -100.16 -13.01 19.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -178.56 152.51 0.65 Allowed 'General case' 0 C--O 1.224 -0.265 0 O-C-N 123.127 0.267 . . . . 0.0 110.505 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.97 133.69 48.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -91.01 -60.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 m -134.1 133.99 41.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.878 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -114.26 105.2 12.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.926 0.393 . . . . 0.0 110.432 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -126.47 135.52 27.35 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.14 -18.75 18.55 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.079 2.519 . . . . 0.0 113.874 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.0 mttp -111.37 -5.3 14.65 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.7 tt0 -168.05 109.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 110.979 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.64 132.42 53.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.6 mt -102.74 106.39 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.027 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.11 124.48 47.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -88.41 100.65 13.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.497 HG21 HD21 ' A' ' 28' ' ' LEU . 34.4 p -99.89 -172.75 2.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.0 mt -53.01 96.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.602 0.564 . . . . 0.0 111.674 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 53.41 41.05 32.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.636 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.21 147.69 10.96 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.614 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -109.94 121.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.212 0.506 . . . . 0.0 111.013 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 81' ' ' TYR . 49.6 tp -96.83 122.03 39.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.456 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -98.91 107.83 20.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.606 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 37.3 mt -101.57 113.18 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.369 -178.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 8.3 mtpm? -101.28 148.55 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.639 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.91 -165.87 39.17 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 25.3 mt-10 -121.82 134.21 54.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.146 0.473 . . . . 0.0 109.751 172.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp 54.93 66.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.939 0.775 . . . . 0.0 111.174 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -80.19 72.51 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.075 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.665 178.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 112.381 -0.288 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HB3' HG22 ' A' ' 29' ' ' THR . 6.5 pt20 -104.93 128.86 53.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.228 0.537 . . . . 0.0 110.521 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG11 HG23 ' A' ' 31' ' ' VAL . 14.3 p -127.51 143.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.537 177.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HB2' ' HE1' ' A' ' 25' ' ' PHE . 17.7 pt-20 -122.21 140.81 52.15 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.2 136.11 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.483 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.75 133.22 44.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.986 0.422 . . . . 0.0 109.982 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 166.59 -164.28 37.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.849 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 3.0 mm? -88.8 71.05 8.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.639 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 12.7 pt -67.38 143.19 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.647 0.737 . . . . 0.0 112.454 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.85 -59.48 2.04 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.658 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' B' ' 152' ' ' TYR . . . -161.68 155.44 21.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.807 -171.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 4.1 mm? -115.46 118.3 32.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.59 176.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.42 121.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -174.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 51' ' ' LEU . 31.7 m-85 . . . . . 0 C--N 1.324 -0.538 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 164.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.614 HD21 ' N ' ' B' ' 93' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.645 0.259 . . . . 0.0 111.439 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.443 ' HG2' HD12 ' B' ' 146' ' ' LEU . 21.5 mtp180 -84.53 136.14 33.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 110.436 176.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -119.81 146.41 45.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.28 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.407 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 26.3 m-85 -107.5 125.87 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 26' ' ' LEU . 36.2 tp -117.01 114.68 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.093 0.473 . . . . 0.0 110.612 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 12.9 m -114.45 111.03 20.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.586 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 49.8 tp -112.7 127.18 56.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.218 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.683 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 87.6 m -117.66 126.06 51.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.516 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.46 17.81 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.899 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.53 131.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -89.02 -36.47 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -163.56 165.77 23.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 m -104.16 132.3 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 172.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -85.7 -50.77 6.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 53.5 m -152.53 135.52 15.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.185 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -132.85 103.58 6.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.454 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.66 159.61 70.76 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 168.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' B' ' 129' ' ' LEU . 14.5 Cg_exo -70.44 12.47 0.39 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.906 2.404 . . . . 0.0 114.525 -174.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -122.26 -23.19 5.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.731 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -155.95 122.64 5.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.862 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' B' ' 129' ' ' LEU . 59.9 mt -119.72 123.25 70.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.496 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.94 102.65 11.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.11 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -98.38 129.11 45.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.408 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.81 103.13 14.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 28.7 p -90.14 -172.05 3.34 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.904 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.27 103.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 65.2 24.14 12.3 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.019 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.43 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.052 -1.071 . . . . 0.0 112.822 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.21 123.29 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.506 HD13 HD13 ' B' ' 150' ' ' LEU . 50.3 tp -99.85 122.81 43.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 110.514 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.822 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 36.0 t -98.89 117.71 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.128 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.81 110.83 30.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.892 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -104.08 130.41 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.938 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 173.39 -159.28 29.23 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.338 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.64 ' HG2' ' HG3' ' B' ' 128' ' ' LYS . 20.4 tt0 -130.04 144.41 51.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.64 ' HG3' ' HG2' ' B' ' 127' ' ' GLU . 62.0 mttp 67.18 30.41 7.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.905 0.482 . . . . 0.0 110.742 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 110' ' ' PRO . 7.0 mp -75.39 73.21 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.579 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 C-N-CA 120.518 -0.848 . . . . 0.0 111.963 -178.641 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 113.651 0.22 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' B' ' 100' ' ' THR . 27.5 mt-30 -122.39 138.96 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.726 -0.279 . . . . 0.0 110.549 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.44 111.98 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.968 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -109.75 105.14 14.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.95 146.88 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.912 0.387 . . . . 0.0 110.515 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -123.96 147.82 47.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.045 0.45 . . . . 0.0 110.294 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.34 -161.52 34.58 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.655 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.461 HD13 ' HD2' ' B' ' 128' ' ' LYS . 5.4 mp -118.81 91.45 3.56 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.296 0.569 . . . . 0.0 109.716 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.528 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 26.8 pt -81.84 151.68 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.559 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . 0.417 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 22.1 m-20 -110.41 -42.7 4.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.245 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.1 154.74 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.225 0.536 . . . . 0.0 111.815 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.506 HD13 HD13 ' B' ' 122' ' ' LEU . 4.1 mm? -115.81 130.78 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.105 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.822 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 45.2 t -120.37 112.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.1 t80 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' ' 75' ' ' LEU . 21.7 t-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 33.9 mtp180 48.83 71.42 0.37 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.716 0.77 . . . . 0.0 110.864 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.711 HE22 ' HA3' ' B' ' 101' ' ' GLY . 9.9 mm100 -95.73 157.71 15.77 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.963 -174.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -110.44 111.4 22.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -100.48 106.4 17.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.766 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 14.8 m -113.64 110.45 20.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.935 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.16 126.28 51.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.451 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -103.86 113.08 26.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.024 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' HG2' ' B' ' 95' ' ' GLN . . . 137.01 33.68 0.22 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.793 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG11 HD23 ' A' ' 44' ' ' LEU . 48.9 t -104.94 130.38 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 t -102.79 -29.8 11.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.575 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -159.44 159.15 33.27 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.822 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.77 120.45 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.79 -57.28 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.62 0.248 . . . . 0.0 110.549 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 m -126.83 128.97 47.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -116.28 106.07 13.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.024 0.44 . . . . 0.0 110.735 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -132.68 141.5 41.35 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 -16.06 33.39 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.156 1.904 . . . . 0.0 112.767 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -114.11 -7.36 13.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -161.88 149.9 14.88 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.47 0.652 . . . . 0.0 111.855 169.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.493 HG12 HD21 ' A' ' 58' ' ' LEU . 32.0 mm -133.25 131.61 58.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.057 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 52' ' ' SER . 37.6 mt -104.64 101.82 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 96.9 mt -91.74 128.52 37.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.279 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.24 104.39 16.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.776 ' HB ' HE22 ' B' ' 95' ' ' GLN . 35.8 p -95.52 -171.11 2.3 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.828 -175.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.2 96.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.277 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 67.63 20.89 9.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.888 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.3 20.31 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 t -136.49 153.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 44.7 tp -130.84 119.68 22.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.673 0.273 . . . . 0.0 110.424 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.739 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 2.5 m -99.71 122.72 43.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 mm -114.18 118.91 59.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.185 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 34.3 mtmt -100.87 146.28 27.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 -150.8 21.91 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.383 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 75' ' ' LEU . 7.9 pt-20 -149.79 148.07 28.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' HD3' HD12 ' A' ' 75' ' ' LEU . 5.8 mptt 60.53 44.29 11.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.493 HD21 HG12 ' A' ' 42' ' ' ILE . 8.6 mp -74.59 72.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.691 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.685 -178.005 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -99.87 129.62 45.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.417 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -127.51 118.37 49.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.443 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -106.36 118.63 37.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.859 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 t -117.67 126.49 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.846 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -116.85 157.97 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.144 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 141.74 -163.25 26.94 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 ' HD3' ' A' ' 57' ' ' LYS . 5.4 mp -95.62 83.92 3.85 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.2 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 pt -77.95 138.5 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.456 0.646 . . . . 0.0 110.633 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -94.4 -64.81 1.03 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.904 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -143.44 153.76 42.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.006 0.431 . . . . 0.0 111.0 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 HD21 HD12 ' A' ' 53' ' ' ILE . 53.6 mt -118.55 118.36 31.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.37 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.739 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.6 t -112.49 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.176 0.513 . . . . 0.0 110.948 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' B' ' 150' ' ' LEU . 1.3 t80 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.447 ' HA ' HD21 ' B' ' 146' ' ' LEU . 44.8 mtt180 -66.65 127.35 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.776 HE22 ' HB ' ' A' ' 46' ' ' THR . 65.8 mt-30 -105.59 139.38 40.28 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.735 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.426 ' CD1' ' HB3' ' B' ' 144' ' ' GLU . 9.3 m-85 -106.82 118.05 35.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.277 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.0 tp -112.48 123.68 50.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.766 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 7.4 t -113.63 116.47 29.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.564 HD22 ' HG ' ' B' ' 122' ' ' LEU . 19.3 tp -120.28 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -108.19 167.04 10.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.711 ' HA3' HE22 ' A' ' 24' ' ' GLN . . . 76.35 18.68 79.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.228 173.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 30.4 t -79.95 107.81 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.972 0.415 . . . . 0.0 109.888 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.0 t -98.01 -26.34 14.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 86.7 tttt -149.48 138.27 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.066 0.46 . . . . 0.0 111.343 -176.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 8.2 m -99.17 108.44 22.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.213 0.53 . . . . 0.0 109.986 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.7 -29.96 36.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.197 0.522 . . . . 0.0 110.36 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t -166.31 135.88 3.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.889 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -127.91 104.53 7.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' B' ' 112' ' ' GLU . 2.1 m-20 -132.26 149.25 72.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.91 0.98 3.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.955 2.436 . . . . 0.0 112.909 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -125.42 -27.0 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.785 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 34.5 tt0 -156.66 114.67 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.93 0.395 . . . . 0.0 110.393 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.48 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 60.7 mt -107.93 137.09 41.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.33 100.4 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.943 0.401 . . . . 0.0 110.122 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.518 HD13 HG11 ' B' ' 141' ' ' VAL . 82.9 mt -105.08 121.62 44.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.407 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 29.5 tt0 -88.22 116.27 26.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.169 0.509 . . . . 0.0 109.674 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 47.0 p -105.09 -178.5 3.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.491 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 69.8 mt -31.83 -61.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.447 1.092 . . . . 0.0 113.416 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.88 40.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.155 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.62 167.11 40.1 Favored Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.7 136.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.279 0.539 . . . . 0.0 111.004 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.564 ' HG ' HD22 ' B' ' 99' ' ' LEU . 4.2 mm? -95.27 111.61 23.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.146 177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.642 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 25.9 t -96.42 100.29 11.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 54.9 mt -95.59 111.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.954 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -100.91 143.04 31.54 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' B' ' 148' ' ' ASP . . . 164.13 -158.99 31.76 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.495 -1.335 . . . . 0.0 113.759 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -134.03 137.49 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.488 . . . . 0.0 110.746 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.701 ' HB2' ' HZ2' ' B' ' 128' ' ' LYS . 3.7 ttmp? 65.34 39.5 5.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.523 0.678 . . . . 0.0 110.954 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.456 HD21 HG23 ' B' ' 124' ' ' ILE . 8.7 mp -75.95 73.84 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.75 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 -175.764 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.168 -0.24 . . . . 0.0 112.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -105.01 119.69 39.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.067 0.433 . . . . 0.0 110.544 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.518 HG11 HD13 ' B' ' 115' ' ' LEU . 9.9 p -111.18 148.67 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -147.65 106.31 3.81 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.26 148.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.286 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' B' ' 96' ' ' PHE . 16.3 mt-10 -121.13 125.58 47.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -176.45 -173.31 41.96 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.558 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' B' ' 94' ' ' ARG . 38.4 mt -97.1 87.68 4.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.432 HD13 ' OE1' ' B' ' 95' ' ' GLN . 19.1 pt -73.51 124.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.672 0.748 . . . . 0.0 111.354 -177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . 0.409 ' HB2' ' HA2' ' B' ' 126' ' ' GLY . 18.8 t70 -83.4 -41.45 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.887 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -160.29 164.34 32.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.117 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . 94.1 mt -138.05 115.45 11.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.642 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 55.5 t -112.52 112.52 40.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.708 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.726 0.298 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -80.25 113.92 18.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.487 HE22 ' HB ' ' B' ' 117' ' ' THR . 98.9 mt-30 -119.49 152.99 36.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 47.4 m-85 -98.43 113.77 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.349 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD11 HD11 ' B' ' 99' ' ' LEU . 57.4 tp -111.04 129.53 55.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.581 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 29.1 m -130.52 124.36 31.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.05 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -127.24 137.36 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.055 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -107.05 166.4 10.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.805 0.336 . . . . 0.0 110.684 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.38 0.71 79.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.499 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.38 116.56 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.828 0.347 . . . . 0.0 110.4 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 m -92.47 -30.04 15.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -163.5 143.38 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.44 114.01 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.187 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -72.22 -43.62 64.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -148.47 133.95 18.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -124.59 104.84 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.55 143.05 47.14 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.316 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -14.56 4.86 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 123.2 2.6 . . . . 0.0 114.534 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 80.2 mttt -125.06 -0.76 7.8 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -160.79 131.9 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.226 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.5 mt -136.18 127.33 43.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 -176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.47 100.75 10.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.25 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD13 HG11 ' A' ' 70' ' ' VAL . 78.7 mt -94.9 128.52 41.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.376 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.15 110.1 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -125.21 149.17 48.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.242 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mt 44.3 -91.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.517 0.727 . . . . 0.0 112.626 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -141.46 20.42 2.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.838 0.351 . . . . 0.0 110.499 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 169.53 23.68 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.952 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.6 t -115.53 148.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.3 tp -125.1 118.57 26.43 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -98.63 119.36 37.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.951 0.405 . . . . 0.0 110.223 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 16.1 mm -102.12 110.13 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.953 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -108.38 138.01 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 111.241 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.68 -141.8 7.38 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 8.8 pt-20 -150.86 149.12 29.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 175.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 61.4 mttm 64.0 38.83 8.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.081 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD21 HG22 ' A' ' 53' ' ' ILE . 7.4 mp -74.26 71.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.916 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.978 -171.418 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 113.07 -0.012 . . . . 0.0 113.07 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -153.88 157.7 39.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.695 -0.297 . . . . 0.0 110.486 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.512 HG11 HD13 ' A' ' 44' ' ' LEU . 13.3 p -143.98 140.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.079 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -126.45 139.16 53.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.441 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 26' ' ' LEU . 15.4 m -142.95 139.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.184 0.302 . . . . 0.0 110.314 175.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -125.82 125.44 42.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 157.14 -157.23 27.89 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.825 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.51 92.89 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 pt -89.67 111.33 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.424 0.631 . . . . 0.0 109.87 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.8 -38.02 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.058 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.583 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -153.61 138.17 16.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.493 . . . . 0.0 111.447 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.531 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 25.9 mt -118.84 113.63 21.39 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 174.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.89 129.03 76.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 21.1 t80 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.457 ' OD1' HD22 ' B' ' 146' ' ' LEU . 6.0 t-20 . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -74.16 109.54 7.74 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 169.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.23 143.41 27.35 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.03 0.443 . . . . 0.0 110.51 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.58 112.7 25.87 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.906 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' B' ' 143' ' ' VAL . 54.6 tp -102.02 106.67 17.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.983 0.42 . . . . 0.0 110.003 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.581 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 46.4 t -107.79 118.1 35.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.827 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 26' ' ' LEU . 8.6 tt -129.51 130.66 46.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.197 0.522 . . . . 0.0 110.029 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 24.8 m -108.12 105.62 15.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.745 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.23 34.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.135 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 48.2 t -102.0 131.15 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 14.3 t -91.98 -31.96 15.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.735 0.302 . . . . 0.0 110.726 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -172.01 164.12 6.17 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.75 124.87 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.818 0.342 . . . . 0.0 110.271 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.551 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 78.5 mt-30 -75.61 -52.25 10.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.891 0.377 . . . . 0.0 110.541 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.1 m -148.03 117.4 6.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -105.51 114.38 28.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -130.7 152.98 81.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.86 32.91 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.298 2.665 . . . . 0.0 113.61 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.598 ' HA ' HD13 ' B' ' 129' ' ' LEU . 16.1 ptpt -166.07 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.769 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 1.0 OUTLIER -137.47 119.72 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.9 mt -122.53 118.78 56.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -174.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.84 101.98 13.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.483 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 97.1 mt -92.65 133.59 35.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.37 178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.551 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 2.9 tm-20 -99.94 101.55 12.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 35.7 p -92.48 -166.14 1.48 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.64 90.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.569 0.223 . . . . 0.0 110.873 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.38 24.15 14.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.406 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.86 -178.86 17.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.27 144.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 52.1 tp -122.74 115.45 22.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.48 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 41.1 t -99.0 117.25 33.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.7 mt -109.64 110.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.666 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.769 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 51.3 mtmt -110.6 130.98 55.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.28 . . . . 0.0 111.136 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . -175.9 -149.32 7.39 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -130.44 134.76 47.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt 58.05 71.42 0.58 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.536 0.684 . . . . 0.0 110.746 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.598 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -101.33 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.381 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.605 177.005 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 CA-C-O 120.464 -0.076 . . . . 0.0 113.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.54 130.95 52.44 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.51 151.64 24.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 35.4 tt0 -139.29 122.43 16.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' B' ' 97' ' ' LEU . 26.8 m -102.69 147.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.364 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -128.95 125.01 36.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.129 -175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.92 -163.57 33.28 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 118.875 -1.631 . . . . 0.0 114.058 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.457 HD22 ' OD1' ' B' ' 93' ' ' ASN . 41.7 mt -94.44 73.98 3.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.365 -0.417 . . . . 0.0 110.715 -175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.566 HD12 HD22 ' B' ' 150' ' ' LEU . 37.3 pt -71.62 151.85 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.888 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -117.12 -48.96 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -144.67 147.47 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.16 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.566 HD22 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -116.11 137.99 51.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 52.0 t -135.55 115.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.318 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.583 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 1.3 t80 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 121.713 0.768 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -89.75 143.33 26.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.877 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.566 ' OE1' HD13 ' A' ' 76' ' ' ILE . 71.8 mt-30 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.728 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 75.5 m-85 -109.9 115.87 30.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.7 tp -112.06 106.9 15.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 1.011 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 16.1 m -105.17 113.73 27.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.713 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.5 tp -113.65 146.58 39.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.038 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 68.1 m -132.09 112.66 12.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.645 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.55 -11.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.71 129.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.942 0.401 . . . . 0.0 110.73 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 m -94.31 -35.96 12.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.825 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -163.99 151.27 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.609 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 44' ' ' LEU . 19.7 m -96.98 127.97 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.889 0.376 . . . . 0.0 110.432 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -87.65 -21.41 25.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 111.177 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -164.06 122.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -109.01 103.01 11.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 0.0 110.337 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 40' ' ' LYS . 7.2 m-20 -134.29 138.57 30.61 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.675 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -67.52 12.26 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 174.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 38' ' ' ASP . 40.9 ttmt -120.9 -25.04 5.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.111 0.481 . . . . 0.0 110.084 175.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 35.8 tt0 -164.54 114.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 -176.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -111.25 123.76 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.11 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -98.23 105.94 18.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD23 HG13 ' A' ' 34' ' ' VAL . 87.4 mt -97.58 109.2 22.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.11 102.44 11.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -125.15 149.1 48.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.537 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm 53.43 -88.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.622 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -143.9 12.89 1.66 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.151 0.501 . . . . 0.0 110.198 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.06 -171.05 12.4 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.084 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.81 126.82 67.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.731 0.301 . . . . 0.0 110.325 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.92 120.18 39.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.479 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.46 111.25 23.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.824 0.345 . . . . 0.0 110.655 -177.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.552 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -94.81 115.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -114.57 136.22 53.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.569 -174.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 166.11 -148.1 13.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.738 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -135.14 150.9 50.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 mttp 59.42 30.14 19.79 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.917 0.865 . . . . 0.0 109.826 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD22 HG13 ' A' ' 42' ' ' ILE . 14.0 tp -75.8 73.74 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.528 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.856 -176.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.49 ' HG2' HG23 ' A' ' 29' ' ' THR . 19.2 mt-30 -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -148.35 131.98 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -116.69 115.54 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.35 135.14 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.117 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.29 138.56 50.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 0.0 110.809 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.03 -159.78 30.63 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.071 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -91.68 89.0 6.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.566 HD13 ' OE1' ' A' ' 24' ' ' GLN . 27.0 pt -78.61 117.92 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.421 0.629 . . . . 0.0 109.985 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -84.66 -39.3 18.77 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.065 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.06 156.85 20.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.85 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.92 120.46 39.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.479 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.7 t -116.56 129.28 73.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.834 0.349 . . . . 0.0 111.241 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.471 ' HB3' HD23 ' B' ' 146' ' ' LEU . 6.5 t30 . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' B' ' 146' ' ' LEU . 6.7 ptp85 -93.95 157.04 16.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.79 148.53 51.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.981 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.579 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 87.2 m-85 -97.22 112.94 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.9 tp -106.96 117.99 35.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 1.011 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 12.9 m -112.72 111.09 21.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.598 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 39.4 tp -112.37 126.31 55.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.728 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 20.0 m -120.37 126.48 50.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.4 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.46 13.91 5.07 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.622 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 68.4 t -80.72 136.84 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.831 0.348 . . . . 0.0 110.204 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.0 p -92.57 -34.16 14.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.29 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -166.23 154.08 10.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.303 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -99.12 134.97 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.83 -59.11 2.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.437 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t -142.03 136.44 30.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.802 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -117.01 104.99 11.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.025 0.44 . . . . 0.0 111.036 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 5.0 m-20 -128.01 137.32 30.55 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.475 173.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 35.4 Cg_exo -63.7 -1.92 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.933 2.422 . . . . 0.0 112.947 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.12 -21.34 12.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 111.054 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.677 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.5 tt0 -166.63 115.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 110.513 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.42 HD13 ' HB3' ' B' ' 129' ' ' LEU . 61.1 mt -100.99 125.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.055 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -101.21 100.61 11.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.281 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -100.67 131.94 46.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.122 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -94.73 126.99 40.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.039 0.447 . . . . 0.0 109.802 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 30.1 p -105.44 -175.19 2.72 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 118' ' ' ILE . 46.4 mt -31.5 -63.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 124.558 1.161 . . . . 0.0 112.26 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -138.77 32.8 2.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.402 . . . . 0.0 110.363 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.12 -176.72 22.64 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.291 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.47 138.86 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.74 118.63 34.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 17.6 m -96.59 110.43 22.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.91 0.386 . . . . 0.0 110.344 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.677 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -89.27 109.88 20.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -100.87 140.23 35.45 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 166.33 -147.63 12.4 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.06 146.92 27.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.664 0.269 . . . . 0.0 110.421 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 tttm 59.48 38.03 22.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.833 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . 0.42 ' HB3' HD13 ' B' ' 113' ' ' ILE . 9.9 mp -75.52 72.19 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.467 174.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.028 -175.568 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.468 ' HB2' HG22 ' B' ' 100' ' ' THR . 8.2 tt0 -140.74 118.62 11.79 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.31 143.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . 0.444 ' HG2' ' OG ' ' B' ' 98' ' ' SER . 43.9 mt-10 -108.49 118.43 36.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.795 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.11 146.76 31.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.11 132.12 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.481 0.658 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.81 166.58 39.76 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.741 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.569 ' HA ' ' HA ' ' B' ' 94' ' ' ARG . 6.5 mp -84.0 83.75 7.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.655 HD11 HD21 ' B' ' 150' ' ' LEU . 17.7 pt -76.7 132.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.606 0.717 . . . . 0.0 111.491 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -89.12 -51.04 5.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.13 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -149.44 153.74 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.934 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.655 HD21 HD11 ' B' ' 147' ' ' ILE . 4.6 mm? -114.96 113.61 24.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.51 112.59 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.021 0.438 . . . . 0.0 110.923 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.351 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' HB2' HD21 ' A' ' 75' ' ' LEU . 29.8 m-80 . . . . . 0 N--CA 1.465 0.313 0 CA-C-O 120.944 0.402 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -75.01 99.75 3.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 74.0 mt-30 -108.08 152.38 24.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.743 -177.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.71 112.24 25.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 60.9 tp -107.57 114.58 28.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.895 0.379 . . . . 0.0 110.501 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 8.5 t -119.46 115.88 24.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD11 HD11 ' B' ' 97' ' ' LEU . 30.5 tp -133.19 132.27 41.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.662 -177.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.5 p -94.11 179.1 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.539 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.37 37.19 59.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.347 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -99.53 130.87 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 110.068 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -95.16 -46.42 6.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.242 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.59 150.47 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 111.115 -176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.07 111.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -49.36 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 0.0 111.222 -175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 t -124.39 118.95 27.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.172 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 10.6 m-20 -134.62 150.01 72.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.922 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.93 -3.35 13.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.201 1.934 . . . . 0.0 112.015 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' A' ' 40' ' ' LYS . 3.8 mmmp? -117.86 -25.78 6.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.925 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 80.6 tt0 -158.92 114.47 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.818 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.83 128.97 65.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.06 108.43 19.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD13 HG22 ' A' ' 70' ' ' VAL . 93.6 mt -97.21 125.2 41.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.81 112.67 17.32 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.5 p -106.16 178.24 4.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.849 -0.159 . . . . 0.0 110.615 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -38.46 -53.31 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 0.0 112.943 -173.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -139.83 36.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.25 -165.41 28.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.777 -1.201 . . . . 0.0 112.932 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.81 126.03 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 44' ' ' LEU . 57.1 tp -96.58 117.79 31.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.781 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.7 m -98.85 109.43 22.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 mt -99.32 114.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -104.14 149.09 25.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.02 24.46 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 12.2 pt-20 -145.64 150.38 36.22 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.671 -0.311 . . . . 0.0 110.726 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.6 mttm 53.03 52.89 12.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.93 -172.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.58 73.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.381 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.345 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.07 160.8 38.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG22 HD13 ' A' ' 44' ' ' LEU . 11.4 p -111.14 134.43 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 0.0 110.381 177.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -131.4 106.71 8.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 26.9 m -130.34 146.65 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -137.42 131.84 32.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 172.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 166.9 -168.83 40.51 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.97 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 22' ' ' ASN . 73.9 mt -85.86 85.91 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.8 pt -81.03 144.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -104.94 -52.62 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.533 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.6 153.39 28.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.415 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 85.6 mt -116.15 135.75 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.781 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.1 t -122.24 122.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.765 0.316 . . . . 0.0 110.55 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.498 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.034 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.428 HD21 HD21 ' B' ' 146' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -83.03 136.25 34.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.087 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.03 137.56 48.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.525 173.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -102.27 126.54 49.3 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 57.9 tp -116.82 113.27 22.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.07 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 48.2 t -109.35 124.55 51.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.655 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 28.4 tp -134.11 158.62 43.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.311 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.487 HG22 ' HG2' ' B' ' 140' ' ' GLN . 70.1 p -127.28 155.22 43.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.452 ' HA3' HD12 ' B' ' 118' ' ' ILE . . . 94.57 17.08 40.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.184 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.77 113.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 m -84.86 -24.68 28.44 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.205 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -175.26 148.38 0.96 Allowed 'General case' 0 C--O 1.227 -0.083 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.869 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.99 106.94 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.514 HE21 ' HB2' ' B' ' 116' ' ' GLU . 68.8 mt-30 -76.59 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.348 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.3 t -129.47 125.32 36.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -113.95 105.61 13.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.89 0.376 . . . . 0.0 111.053 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -132.45 139.13 33.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -59.01 -10.76 10.71 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.969 2.446 . . . . 0.0 113.975 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -108.98 -21.88 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.183 -0.323 . . . . 0.0 111.808 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 42.2 tt0 -153.96 112.39 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 111.347 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.62 128.89 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.063 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.67 104.61 15.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.428 HD12 HG13 ' B' ' 141' ' ' VAL . 95.3 mt -97.94 115.21 27.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.921 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.514 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -75.76 114.87 14.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 16.0 p -119.06 -171.98 2.21 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.357 0.599 . . . . 0.0 111.324 -173.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' B' ' 119' ' ' GLN . 16.0 mt -61.72 118.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.697 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' B' ' 118' ' ' ILE . 6.5 pt20 63.07 3.3 1.23 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.918 1.287 . . . . 0.0 113.324 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.07 -165.47 22.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.334 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.76 122.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.17 119.34 34.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.116 0.484 . . . . 0.0 109.969 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.743 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.9 m -98.15 117.58 32.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 12.3 mm -101.7 117.98 47.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.435 ' HG2' ' HG3' ' B' ' 112' ' ' GLU . 27.6 mtpp -123.16 144.12 49.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.647 0.26 . . . . 0.0 111.187 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.401 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 165.02 -139.43 5.82 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.184 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.63 134.68 39.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.661 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 36.2 ttmt 49.46 79.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.852 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.42 72.99 8.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.181 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-N 114.851 -1.068 . . . . 0.0 114.309 -171.166 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.487 ' HG2' HG22 ' B' ' 100' ' ' THR . 22.1 mt-30 -122.73 159.66 27.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.428 HG13 HD12 ' B' ' 115' ' ' LEU . 9.5 p -146.77 133.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 44.3 tt0 -130.12 113.93 15.11 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.6 m -113.79 154.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.2 125.64 33.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . 0.661 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 163.36 -154.23 25.06 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.425 -1.369 . . . . 0.0 113.463 176.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.428 HD21 HD21 ' B' ' 93' ' ' ASN . 37.3 mt -101.86 86.5 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.318 -0.441 . . . . 0.0 110.142 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.96 133.59 29.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.365 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . 0.401 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 37.3 m-20 -104.37 -46.79 4.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -139.38 139.16 37.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.527 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.456 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 76.9 mt -115.66 113.18 23.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.743 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 49.0 t -109.6 118.81 57.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 -173.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.415 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' HD12 ' B' ' 118' ' ' ILE . 8.1 p30 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.554 0.216 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -85.87 133.18 33.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.58 0.705 . . . . 0.0 110.121 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.64 142.7 40.41 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.029 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 43.9 m-85 -97.25 127.44 43.22 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -118.65 116.98 27.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.519 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 4.7 m -115.01 110.68 19.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 51' ' ' LEU . 29.3 tp -112.82 126.17 55.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.482 HG21 ' HG2' ' A' ' 69' ' ' GLN . 26.9 m -106.77 130.88 54.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 177.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.77 22.66 3.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.968 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.531 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 43.7 t -88.88 111.38 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -79.5 -33.7 41.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -155.05 142.87 19.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.564 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.46 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 173.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -72.89 -49.54 29.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.512 . . . . 0.0 110.684 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 m -152.03 142.57 22.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -123.5 105.37 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -123.73 150.71 62.63 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -15.31 36.53 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.989 2.459 . . . . 0.0 112.981 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -103.27 -30.36 10.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.549 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 37.7 tt0 -149.11 130.65 14.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -170.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.1 mt -119.67 128.17 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.911 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.15 114.97 29.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.409 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.627 HD11 HD22 ' A' ' 51' ' ' LEU . 86.2 mt -109.52 118.19 35.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.248 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.93 106.99 18.17 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 31' ' ' VAL . 72.6 p -109.11 175.7 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.56 -171.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -32.38 -61.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.448 1.092 . . . . 0.0 113.001 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -140.41 60.69 1.53 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.534 0.683 . . . . 0.0 109.915 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.69 175.58 36.33 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.806 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.42 141.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 28' ' ' LEU . 61.0 tp -108.75 124.53 50.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -107.33 102.77 12.04 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 35.1 mt -89.79 112.71 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG2' ' OE2' ' A' ' 41' ' ' GLU . 54.5 mttm -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.19 0.306 . . . . 0.0 110.442 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.21 -149.64 19.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.675 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.73 138.58 54.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.793 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 16.3 tppt? 62.88 88.31 0.1 Allowed 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 110.471 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.87 71.26 0.88 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.257 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.533 -171.774 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.449 -0.435 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.482 ' HG2' HG21 ' A' ' 29' ' ' THR . 53.8 mt-30 -117.89 110.67 18.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.947 0.403 . . . . 0.0 110.26 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.404 HG21 HD22 ' A' ' 44' ' ' LEU . 98.5 t -108.14 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.667 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.54 105.96 9.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -121.09 163.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.009 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.91 142.66 51.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.906 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.793 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 161.26 -162.35 33.69 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.268 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.9 mt -103.74 87.93 2.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.793 0.33 . . . . 0.0 110.118 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.84 132.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.29 0.566 . . . . 0.0 111.042 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.92 -52.82 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.997 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.12 143.22 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.967 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 85.0 mt -119.85 117.96 29.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.516 176.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.98 133.09 66.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.53 93.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.693 0.759 . . . . 0.0 109.209 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -90.05 157.09 17.96 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.494 -171.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -105.97 113.4 26.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.475 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -115.1 116.97 29.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.362 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 22.9 t -117.84 126.5 52.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.978 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 125.52 46.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.547 HG21 ' HG2' ' B' ' 140' ' ' GLN . 15.5 m -108.21 100.73 10.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.02 53.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.35 138.86 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 26.4 t -88.18 -55.4 3.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -144.68 148.09 33.82 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.275 -0.265 . . . . 0.0 110.614 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.6 126.59 51.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -95.78 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.031 0.443 . . . . 0.0 110.873 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -115.15 123.57 49.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -124.62 102.73 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.352 0.596 . . . . 0.0 111.524 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 111' ' ' LYS . 17.1 t70 -134.62 145.47 55.1 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.72 11.04 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.241 1.961 . . . . 0.0 113.471 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.763 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 36.5 mtmm -129.21 -14.15 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.053 -0.404 . . . . 0.0 111.495 173.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.1 tt0 -152.31 113.08 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.05 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.9 mt -120.76 117.47 53.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.361 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.79 96.76 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.479 HD11 HG13 ' B' ' 141' ' ' VAL . 83.3 mt -93.54 110.95 22.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.247 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -77.63 111.2 13.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.3 0.572 . . . . 0.0 109.644 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -87.77 178.61 6.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.717 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 22' ' ' ASN . 57.7 mt -51.67 -36.69 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.41 -174.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -134.76 19.45 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.12 -155.54 10.3 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 119.571 -1.299 . . . . 0.0 112.994 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.13 139.32 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -114.24 119.6 37.57 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.867 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.9 t -96.81 111.45 23.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 0.0 110.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 4.5 mm -90.39 116.1 31.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -106.79 145.36 32.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.56 -145.59 11.08 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.147 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . 0.763 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 9.4 pt-20 -149.26 149.99 31.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 66.14 23.09 11.02 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.356 0.41 . . . . 0.0 111.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.0 73.66 0.28 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.383 0.673 . . . . 0.0 112.218 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.681 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.208 0 CA-C-O 121.041 0.245 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.547 ' HG2' HG21 ' B' ' 100' ' ' THR . 78.6 mt-30 -107.49 110.1 21.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.479 HG13 HD11 ' B' ' 115' ' ' LEU . 13.6 p -106.54 143.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.366 0.603 . . . . 0.0 111.22 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -134.13 106.8 7.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.327 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 27.5 t -110.25 131.5 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.559 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -127.98 130.1 47.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.335 . . . . 0.0 110.101 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 163.31 -175.71 39.56 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.026 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.512 ' HB2' ' HG3' ' B' ' 127' ' ' GLU . 3.2 mm? -80.59 89.84 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.01 145.57 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.392 0.615 . . . . 0.0 110.773 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.59 -54.78 2.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.305 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -167.72 169.97 11.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.827 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.3 127.09 54.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.479 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . 0.867 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 63.2 t -115.63 113.32 43.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.474 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' HA ' HD11 ' B' ' 118' ' ' ILE . 3.2 t30 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 27.2 mtp85 -77.22 117.61 18.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -107.4 149.64 27.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-30 -97.54 114.97 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' HG23 ' A' ' 72' ' ' VAL . 38.0 tp -109.84 111.68 23.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.98 0.419 . . . . 0.0 110.616 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 18.6 m -111.08 118.72 36.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.65 134.53 52.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -106.51 162.63 13.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.357 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.22 55.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.433 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.85 121.9 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -87.19 -44.89 11.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.431 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -160.07 147.88 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 -173.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -92.92 121.91 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -79.19 -45.48 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.572 . . . . 0.0 110.305 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 t -148.2 127.32 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.279 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -113.31 106.59 14.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.137 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -129.63 139.59 36.11 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.85 -24.27 13.24 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.309 2.673 . . . . 0.0 114.174 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 31.7 mtpt -105.69 -6.06 19.48 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -169.12 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.977 0.417 . . . . 0.0 111.288 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.9 mt -112.86 124.66 69.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -99.03 101.95 13.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.901 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.55 120.25 37.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.616 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.32 114.49 20.83 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 t -120.49 -163.52 1.02 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.142 -173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' HG13 ' A' ' 47' ' ' ILE . 33.8 pt -57.73 108.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.499 0.666 . . . . 0.0 112.167 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 66.31 0.92 1.85 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.926 -1.033 . . . . 0.0 113.178 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.79 -173.41 30.41 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.307 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.83 140.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -110.8 126.42 54.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.312 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.2 t -96.2 107.75 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.412 HG22 HD21 ' A' ' 58' ' ' LEU . 60.0 mt -104.67 110.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.194 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 78' ' ' ALA . 5.9 mtmp? -106.83 150.1 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 168.58 -161.15 34.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.732 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -117.96 133.67 55.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.993 0.117 . . . . 0.0 111.017 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.6 64.44 1.82 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.965 0.791 . . . . 0.0 112.436 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 HD21 HG22 ' A' ' 53' ' ' ILE . 10.1 mp -88.96 73.38 8.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.959 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.953 -177.524 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -92.67 124.07 36.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.443 0.297 . . . . 0.0 110.511 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.09 123.64 64.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -109.06 122.73 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.247 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 26' ' ' LEU . 16.3 m -123.91 132.14 71.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.907 0.384 . . . . 0.0 110.067 175.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 38.3 tt0 -115.05 125.63 53.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.2 -170.3 42.39 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.864 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.776 ' HG ' ' HG2' ' A' ' 23' ' ' ARG . 2.8 mp -105.4 90.15 3.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.0 pt -66.8 142.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.757 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.16 -48.97 4.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.321 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.491 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . . . -160.97 146.1 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.82 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.38 119.42 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.41 118.28 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.934 0.397 . . . . 0.0 110.762 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASN . . . . . 0.505 ' CG ' HD23 ' B' ' 146' ' ' LEU . 11.5 t-20 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.535 ' HG2' ' HG ' ' B' ' 146' ' ' LEU . 66.1 mtp180 69.67 113.26 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.987 -177.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -116.53 149.34 39.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -102.41 113.22 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.228 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 51.3 tp -99.12 107.46 19.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.792 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 16.3 t -110.36 120.57 42.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 42.7 tp -139.55 139.89 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.422 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.7 p -106.01 167.72 9.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.075 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.76 20.79 42.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.814 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 52.0 t -86.91 129.44 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 13.1 p -106.17 -18.34 14.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.843 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -171.99 148.87 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.297 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.9 t -91.16 109.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.411 ' CD ' ' HB2' ' B' ' 116' ' ' GLU . 11.0 mm100 -71.47 -54.83 9.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.471 . . . . 0.0 110.893 -175.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -149.8 146.59 27.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.899 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -129.74 106.76 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.258 0.552 . . . . 0.0 111.082 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -132.43 140.58 38.35 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.67 -8.96 4.76 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.909 2.406 . . . . 0.0 114.065 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 63.0 mttp -114.15 -17.23 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.541 0.21 . . . . 0.0 111.56 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.524 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . 35.6 tt0 -153.1 116.58 4.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.252 0.549 . . . . 0.0 111.447 -175.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.5 mt -115.88 129.79 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.84 123.26 48.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.17 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.484 HD12 HG11 ' B' ' 141' ' ' VAL . 85.8 mt -121.62 127.66 51.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.411 ' HB2' ' CD ' ' B' ' 106' ' ' GLN . 29.6 tt0 -81.38 131.23 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.7 p -122.34 -178.88 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.374 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 22' ' ' ASN . 41.0 mt -38.07 -53.48 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 124.133 0.973 . . . . 0.0 113.487 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.12 19.5 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.26 -152.65 8.94 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.498 -1.334 . . . . 0.0 113.254 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.67 152.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -116.49 136.27 53.13 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.6 t -114.6 118.14 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.992 0.425 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.34 120.71 59.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' B' ' 112' ' ' GLU . 13.8 mmmm -116.63 136.17 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.997 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 167.1 -149.17 14.34 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.28 152.11 44.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.625 0.25 . . . . 0.0 110.891 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 128' ' ' LYS . 48.0 tttm 64.14 28.21 14.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.356 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.23 72.97 0.94 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.09 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.741 -177.021 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 112.746 -0.141 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.74 137.05 52.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 111.038 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' VAL . . . . . 0.484 HG11 HD12 ' B' ' 115' ' ' LEU . 11.4 p -126.33 148.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.209 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 41.7 tt0 -146.77 111.14 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.29 156.19 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -120.65 141.1 50.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.06 172.08 36.18 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.135 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . 0.535 ' HG ' ' HG2' ' B' ' 94' ' ' ARG . 4.2 mp -92.95 89.25 6.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' ILE . . . . . 0.518 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 19.0 pt -82.67 134.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.241 -175.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.93 -20.8 17.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.596 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -158.76 138.62 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.155 0.502 . . . . 0.0 111.586 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 82.8 mt -115.95 114.29 24.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 55.0 t -120.06 117.41 53.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.172 0.51 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.317 -0.84 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 171.575 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.8 0.333 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.487 ' OD2' ' HB2' ' A' ' 23' ' ' ARG . 32.1 t70 -81.35 -32.22 33.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' HB3' HD22 ' A' ' 75' ' ' LEU . 4.0 t30 73.68 -7.37 1.59 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.7 0.8 . . . . 0.0 111.666 173.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HD3' ' HD3' ' A' ' 57' ' ' LYS . 68.9 mtm180 -78.4 129.63 35.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.427 . . . . 0.0 110.565 173.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -113.39 145.71 40.69 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 93.0 m-85 -97.83 118.33 34.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 tp -114.3 116.26 28.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.927 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.585 ' OG ' ' HB3' ' B' ' 98' ' ' SER . 4.7 p -119.9 132.46 55.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.686 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -133.35 134.37 43.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.766 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -103.16 154.86 18.87 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.81 24.2 21.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.08 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.52 106.58 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -81.01 -38.83 26.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.795 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 56.0 tttm -146.82 150.2 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.462 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.23 139.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 13.2 mm-40 -94.46 -58.9 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.876 0.37 . . . . 0.0 110.348 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 t -143.82 140.3 29.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.479 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -121.41 105.28 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.819 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 14.3 t70 -133.22 136.87 28.09 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.8 Cg_exo -65.05 13.0 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 123.125 2.55 . . . . 0.0 113.771 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' ASP . 19.7 ttmm -129.91 -15.24 3.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.653 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -155.63 111.55 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 110.77 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG12 HD21 ' A' ' 58' ' ' LEU . 45.0 mm -105.59 127.99 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.266 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.41 114.32 24.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.215 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.14 135.56 54.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.874 0.368 . . . . 0.0 110.981 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 8.7 tm-20 -92.33 105.34 17.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 t -125.67 -170.53 2.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' B' ' 93' ' ' ASN . 68.3 mt -51.22 -56.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -88.12 -4.34 58.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -172.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.17 -151.16 23.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.419 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -98.59 125.71 51.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -94.99 118.22 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.441 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.86 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 15.0 m -98.65 106.09 18.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 53.0 mt -95.31 118.68 42.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.516 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -116.6 139.63 50.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.496 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 40' ' ' LYS . . . 170.99 -149.89 13.07 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.21 176.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -124.66 134.75 52.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.577 ' HD3' ' HD3' ' A' ' 23' ' ' ARG . 47.9 tttm 57.2 61.31 2.59 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.589 0.555 . . . . 0.0 110.892 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 HD21 HG12 ' A' ' 42' ' ' ILE . 7.9 mp -89.14 73.16 8.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.359 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.73 149.72 19.39 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.33 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.806 0.336 . . . . 0.0 110.572 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -74.99 -32.64 61.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.793 -171.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -150.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.57 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.31 84.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.06 -178.87 5.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.491 -173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 76.08 -42.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.079 0.862 . . . . 0.0 109.561 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -59.86 144.45 48.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 174.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 69.53 -0.92 2.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.351 0.66 . . . . 0.0 111.788 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.21 23.23 61.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.722 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.73 136.97 53.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.791 -0.241 . . . . 0.0 110.385 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.21 121.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.097 0.475 . . . . 0.0 110.934 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 50.7 mt-10 -111.19 123.0 49.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.472 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.54 144.51 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.966 0.412 . . . . 0.0 110.852 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -120.54 144.92 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.714 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.29 -179.89 35.51 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.648 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 22' ' ' ASN . 3.4 mp -92.2 85.13 5.36 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' HE2' ' B' ' 152' ' ' TYR . 6.1 pt -68.9 141.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.123 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.58 -48.51 4.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.152 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -161.71 163.31 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.374 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HG ' ' HD2' ' B' ' 152' ' ' TYR . 86.3 mt -125.48 133.55 52.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.86 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.2 t -114.82 111.84 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.941 0.401 . . . . 0.0 110.274 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.5 OUTLIER -130.3 109.39 16.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.1 138.38 47.28 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.612 2.208 . . . . 0.0 112.406 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.2 mt -77.46 42.71 0.36 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.75 -164.78 0.11 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 110.544 -172.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -108.7 10.43 26.85 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 162.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -91.7 76.44 5.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.149 -1.841 . . . . 0.0 110.274 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.7 m80 55.35 -127.07 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.268 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 68.6 -45.72 0.53 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.408 0.683 . . . . 0.0 112.633 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.11 101.83 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.794 0.331 . . . . 0.0 111.229 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.8 t60 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.641 177.478 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 121.282 0.563 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.51 165.27 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.414 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.493 ' HA ' HD13 ' A' ' 47' ' ' ILE . 17.7 p30 -93.97 -19.96 20.43 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -83.26 135.43 34.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.943 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -113.68 142.84 45.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.171 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -103.25 112.89 25.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 43.2 tp -105.0 120.67 42.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.604 ' HG ' ' HG2' ' B' ' 142' ' ' GLU . 22.7 t -121.65 122.68 40.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.733 176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 22.4 tp -134.65 136.28 42.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.158 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.518 HG23 ' HB3' ' B' ' 140' ' ' GLN . 74.5 p -98.9 171.82 7.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.17 11.54 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.9 117.66 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -114.01 -28.57 7.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.533 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 61.6 tttm -148.45 129.9 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.02 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.95 114.8 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -102.08 -17.74 15.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.827 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' B' ' 114' ' ' LEU . 39.3 t -164.9 136.19 4.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' B' ' 132' ' ' LYS . 79.0 t80 -140.25 104.0 4.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.21 0.529 . . . . 0.0 110.637 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -133.39 143.01 46.27 Favored Pre-proline 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.67 0.81 0.67 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.345 2.03 . . . . 0.0 113.753 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 39.7 mtpt -123.1 -9.84 8.16 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.731 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 0.6 OUTLIER -164.43 121.84 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.3 mt -127.44 127.73 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' B' ' 107' ' ' SER . 91.4 mt -109.36 106.44 16.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.474 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.51 123.18 49.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 1.7 tm-20 -85.84 109.65 18.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.7 p -109.64 -178.41 3.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.045 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 12.8 mt -38.29 -57.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -170.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.52 14.64 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.9 170.86 44.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.164 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' B' ' 153' ' ' PRO . 54.2 t -105.91 126.18 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' B' ' 152' ' ' TYR . 56.6 tp -95.63 128.72 42.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.648 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.64 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 23.0 t -105.52 110.48 22.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.245 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.6 mt -102.16 110.4 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.731 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 89.2 mttt -112.91 144.53 42.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.654 0.264 . . . . 0.0 110.984 -173.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.46 -138.5 5.31 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 8.4 pt-20 -155.45 148.84 24.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.941 0.4 . . . . 0.0 111.283 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 59.01 40.08 22.69 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.702 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.88 73.36 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' B' ' 131' ' ' ILE . . . -87.22 170.58 41.24 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.972 -176.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' B' ' 130' ' ' GLY . 41.9 mm 75.49 130.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.507 0.67 . . . . 0.0 111.478 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.455 ' HB2' ' CZ ' ' B' ' 108' ' ' PHE . 75.9 tttt -146.79 142.86 28.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.147 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -79.68 108.25 13.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.88 -29.19 58.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.249 0.547 . . . . 0.0 109.982 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -115.45 123.49 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.185 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.19 73.73 3.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.187 0.518 . . . . 0.0 110.405 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -65.93 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.951 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.0 13.87 32.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.81 36.49 92.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.89 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.518 ' HB3' HG23 ' B' ' 100' ' ' THR . 4.0 pt20 -123.47 152.1 42.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 110.937 -176.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -114.26 140.8 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.827 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.604 ' HG2' ' HG ' ' B' ' 98' ' ' SER . 49.6 mt-10 -135.36 110.24 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.89 156.57 28.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -129.93 134.57 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.23 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 159.88 -161.22 32.2 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.105 -1.045 . . . . 0.0 112.587 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.93 86.94 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.434 HD12 HD23 ' B' ' 150' ' ' LEU . 17.5 pt -82.97 118.82 31.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 110.29 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.09 -35.88 12.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.287 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -148.27 140.24 23.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.322 0.582 . . . . 0.0 112.157 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.434 HD23 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -115.94 114.77 25.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.142 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 46.0 t -116.64 116.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 0.0 111.954 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.685 ' HE2' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -103.52 153.5 38.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.503 ' HD3' ' HD1' ' B' ' 152' ' ' TYR . 13.1 Cg_exo -68.52 135.56 33.91 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.219 1.946 . . . . 0.0 112.037 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.86 149.75 49.69 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.26 140.88 9.26 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 123.359 0.412 . . . . 0.0 110.197 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -57.29 89.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.423 0.452 . . . . 0.0 111.4 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 51.6 m80 51.23 -111.09 0.52 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.159 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . 0.463 ' C ' ' H ' ' B' ' 160' ' ' HIS . 43.6 t-80 54.15 -100.21 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.235 0.334 . . . . 0.0 111.825 174.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . 0.418 ' O ' ' HB3' ' B' ' 160' ' ' HIS . 51.4 m-70 67.29 -32.93 0.2 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . 0.463 ' H ' ' C ' ' B' ' 158' ' ' HIS . 74.8 t60 73.28 8.02 5.24 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.57 0.7 . . . . 0.0 109.557 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 44.1 t60 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.423 -0.798 . . . . 0.0 109.789 -179.3 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 ttm . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -150.38 140.95 22.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.116 0.484 . . . . 0.0 111.23 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -139.36 0.52 1.89 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.547 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.73 111.55 10.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.519 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 94.1 mt-30 -99.69 141.64 32.22 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.737 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 26.9 m-85 -99.5 111.46 23.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD11 HD13 ' B' ' 99' ' ' LEU . 53.6 tp -108.17 116.81 32.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 2.3 p -125.28 131.3 53.1 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' B' ' 96' ' ' PHE . 35.5 tp -136.78 153.52 50.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.697 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 68' ' ' GLY . 49.4 p -111.61 174.93 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.489 176.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.42 22.16 76.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.795 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG21 HG12 ' A' ' 70' ' ' VAL . 57.1 t -81.74 130.94 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.4 m -90.12 -55.56 3.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -165.5 165.25 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.539 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.98 138.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.68 -48.74 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.73 0.3 . . . . 0.0 110.656 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 p -134.6 118.37 17.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.449 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -96.04 102.49 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 0.0 110.345 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.6 m-20 -134.33 136.38 25.78 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.082 173.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 12.5 Cg_exo -70.95 17.02 0.27 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.991 2.461 . . . . 0.0 113.223 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 38' ' ' ASP . 29.5 mtpp -135.32 -31.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.656 0.265 . . . . 0.0 110.862 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 39.7 tt0 -146.73 108.68 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.79 HD13 HD11 ' A' ' 60' ' ' ILE . 68.2 mt -107.63 128.69 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.548 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.23 101.78 11.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.926 0.393 . . . . 0.0 110.167 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.12 123.18 36.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.436 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -91.83 125.05 36.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 0.0 109.786 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -123.81 -163.35 1.13 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.868 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.8 93.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 122.762 0.425 . . . . 0.0 111.6 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 65.0 17.34 11.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.558 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' HA3' ' OH ' ' A' ' 81' ' ' TYR . . . -149.43 172.62 29.42 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.5 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -132.73 129.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.681 0.276 . . . . 0.0 110.363 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.3 tp -105.22 122.44 45.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.732 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.9 m -97.87 114.79 26.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.707 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.0 mm -101.46 115.86 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.433 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 78' ' ' ALA . 46.1 tttp -123.32 134.87 54.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.06 -152.72 20.71 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.124 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -117.99 134.98 54.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.722 0.296 . . . . 0.0 111.018 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.44 63.77 1.77 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -84.71 73.33 10.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.777 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.6 149.72 47.12 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.382 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.79 HD11 HD13 ' A' ' 42' ' ' ILE . 63.4 mt -122.41 135.3 62.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 122.533 -0.393 . . . . 0.0 111.184 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 71' ' ' GLU . 10.9 tppt? -72.53 116.09 12.58 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 171.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -88.21 101.8 14.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.505 0.669 . . . . 0.0 111.449 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.03 -176.38 4.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.778 171.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.13 147.64 27.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.27 0.557 . . . . 0.0 111.265 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -92.81 1.84 57.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.898 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.28 -45.04 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.634 171.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' THR . . . 102.76 -5.85 51.39 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.584 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -86.95 127.89 35.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG12 HG21 ' A' ' 31' ' ' VAL . 12.0 p -130.53 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 37.4 mt-10 -125.87 122.03 34.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.591 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.1 t -107.4 126.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.37 124.49 51.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.18 -173.59 44.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 118.82 -1.657 . . . . 0.0 113.669 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 22' ' ' ASN . 16.3 mt -91.29 67.79 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.564 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 22.1 pt -70.43 142.07 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.305 0.574 . . . . 0.0 110.977 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -118.4 -39.93 2.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 54' ' ' LYS . . . -134.48 135.1 42.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.065 0.459 . . . . 0.0 111.463 -177.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 76' ' ' ILE . 4.4 mm? -116.17 124.78 51.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.538 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.732 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 46.4 t -126.58 133.96 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.803 0.335 . . . . 0.0 111.382 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.471 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 5.4 t80 -136.57 111.17 9.7 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.45 150.81 41.61 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.618 2.212 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.75 137.15 57.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -72.92 167.46 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.553 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -144.04 54.57 1.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.19 0.519 . . . . 0.0 110.065 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -78.22 158.75 28.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.549 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -162.68 -67.9 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -152.72 135.36 15.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -57.09 -39.85 75.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.514 172.63 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.646 ' O ' ' HB2' ' B' ' 93' ' ' ASN . 1.3 p30 -112.38 -99.3 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.333 173.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.646 ' HB2' ' O ' ' B' ' 92' ' ' ASP . 2.7 t30 157.65 -23.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.47 1.108 . . . . 0.0 109.095 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -80.0 117.74 21.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -99.69 159.74 14.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.953 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 84.7 m-85 -98.02 112.53 24.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.337 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.3 tp -108.56 106.69 16.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.91 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 0.4 OUTLIER -120.0 122.98 42.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.691 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 26' ' ' LEU . 14.1 tp -134.54 138.32 44.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.613 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 71.4 p -100.95 174.92 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.445 ' HA3' ' HG2' ' A' ' 24' ' ' GLN . . . 84.57 16.08 66.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.819 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.429 HG12 HD23 ' B' ' 115' ' ' LEU . 67.6 t -92.02 121.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 20.0 m -93.74 -39.14 10.92 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.732 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -159.46 145.33 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.64 0.257 . . . . 0.0 110.641 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.29 107.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.36 -55.25 9.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.183 0.516 . . . . 0.0 110.498 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 37.2 t -132.7 123.88 27.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.826 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -113.8 106.47 14.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.033 0.444 . . . . 0.0 111.302 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -133.04 139.79 35.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -53.79 -14.62 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.973 2.448 . . . . 0.0 114.26 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -109.29 -5.56 15.84 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.099 -0.376 . . . . 0.0 111.839 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 32.6 tt0 -171.12 123.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.952 0.406 . . . . 0.0 111.266 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.28 127.34 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.036 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.17 107.06 19.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.419 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.429 HD23 HG12 ' B' ' 102' ' ' VAL . 85.6 mt -100.18 111.18 23.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.731 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.13 122.5 25.7 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.6 p -113.89 178.53 4.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.32 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.53 -46.99 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.08 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.82 30.88 2.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.442 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . 0.66 ' HA3' ' HE1' ' B' ' 152' ' ' TYR . . . -174.92 -167.65 34.49 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.745 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.3 t -135.58 120.75 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.0 tp -96.99 118.91 34.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.01 0.433 . . . . 0.0 110.173 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.633 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 43.5 t -94.73 111.19 22.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.343 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 9.2 mm -91.81 110.18 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.465 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 65.1 mttm -108.67 142.2 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 166.33 -139.38 5.73 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.015 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 58.66 49.4 10.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.916 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.14 71.88 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.128 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.83 109.4 2.96 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.579 -172.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 12.4 tt -114.0 145.07 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -83.27 118.69 23.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -71.18 115.26 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.753 -177.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 47.9 tp -151.19 -66.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.438 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.408 ' CG ' ' H ' ' B' ' 136' ' ' LEU . 7.0 t70 -159.52 -168.21 2.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.408 ' H ' ' CG ' ' B' ' 135' ' ' ASP . 25.2 tp -90.22 -2.91 58.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.227 0.536 . . . . 0.0 109.579 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 66.2 -77.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.864 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -160.2 27.9 0.17 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.22 31.2 26.07 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.004 -1.239 . . . . 0.0 110.004 -170.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -125.86 133.32 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.817 -0.691 . . . . 0.0 109.878 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -107.51 141.86 21.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.184 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -124.97 106.69 10.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.65 120.26 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.91 124.16 51.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.03 -160.5 32.56 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.284 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.38 114.97 27.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.33 136.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -102.13 -51.7 3.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -154.42 153.36 31.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.236 0.541 . . . . 0.0 111.713 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.53 116.76 28.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.68 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 89.6 t -116.1 124.16 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.945 0.402 . . . . 0.0 110.82 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.66 ' HE1' ' HA3' ' B' ' 120' ' ' GLY . 0.8 OUTLIER -131.62 98.96 17.45 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.59 125.9 7.13 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.194 2.596 . . . . 0.0 112.493 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 9.0 mp -70.39 153.17 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.327 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -88.74 -40.58 13.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.136 0.493 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.5 104.21 12.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.375 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -167.93 -41.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 65.76 -72.72 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.194 0.597 . . . . 0.0 110.505 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -172.68 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -172.59 99.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.132 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.399 177.143 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -113.22 -131.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.731 0.301 . . . . 0.0 111.169 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' B' ' 118' ' ' ILE . 6.2 p-10 -87.34 13.68 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.457 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 31.5 mtp-105 -93.24 104.1 16.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.5 173.32 8.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.329 0.585 . . . . 0.0 111.751 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.973 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 85.6 t80 -120.22 129.02 53.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.366 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -129.08 133.37 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.22 -173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.817 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 21.2 t -131.98 137.4 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.518 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -139.79 149.02 43.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 69' ' ' GLN . 77.3 p -113.34 159.94 18.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.48 5.85 68.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.278 -0.486 . . . . 0.0 112.3 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 70' ' ' VAL . 38.9 t -65.08 128.85 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.0 110.506 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -101.92 -48.67 4.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.695 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -150.64 147.18 27.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 111.266 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.6 t -89.58 108.53 19.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -67.4 -59.56 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.189 0.519 . . . . 0.0 110.64 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -130.11 130.12 44.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.235 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 89.3 t80 -117.51 104.38 11.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.069 0.462 . . . . 0.0 111.269 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.33 141.78 41.79 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -57.41 -13.4 13.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.847 2.365 . . . . 0.0 113.927 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -108.99 -12.19 14.89 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 40.2 tt0 -162.56 122.07 2.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.197 0.522 . . . . 0.0 111.069 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.98 129.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.304 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 52' ' ' SER . 77.7 mt -99.1 105.83 17.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.967 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.41 107.94 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.655 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 1.5 tm-20 -84.48 110.59 18.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -115.73 145.66 42.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.708 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt 45.51 -81.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 123.833 0.708 . . . . 0.0 112.79 -170.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -151.22 23.88 0.73 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.646 0.736 . . . . 0.0 109.545 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.49 141.16 11.45 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.001 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 22.2 t -94.72 122.14 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 111.106 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -96.37 131.37 42.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.862 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.466 ' HA ' HD21 ' A' ' 43' ' ' LEU . 32.7 t -99.51 112.14 24.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.084 0.468 . . . . 0.0 110.958 -177.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.6 mm -101.07 113.72 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.627 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.719 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 4.3 ttmp? -114.29 139.26 49.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.467 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 75' ' ' LEU . . . 175.73 -138.87 4.39 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.392 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -156.17 146.56 21.62 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 15.3 ttmt 61.55 38.9 15.28 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.4 75.95 0.55 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.139 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.61 118.82 10.3 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.476 HG23 ' HZ ' ' A' ' 37' ' ' PHE . 4.7 tp -102.21 114.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.319 0.58 . . . . 0.0 111.534 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -77.48 115.38 17.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 173.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -82.16 100.72 9.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.387 0.613 . . . . 0.0 112.279 -167.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.1 mt -133.73 128.77 35.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 168.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.63 45.98 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.839 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt 56.95 34.2 24.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.443 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.06 -45.84 82.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 6.36 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.42 6.88 43.48 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.626 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.531 ' HB2' HG23 ' A' ' 29' ' ' THR . 56.2 tt0 -121.69 140.92 51.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 31' ' ' VAL . 11.2 p -135.74 140.37 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.713 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -136.97 130.76 32.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.107 0.479 . . . . 0.0 110.835 177.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.67 168.29 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.988 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.79 51.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.429 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 23' ' ' ARG . . . 159.97 -170.84 36.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.085 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.534 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 57.4 mt -83.42 111.2 18.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.12 109.84 25.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.234 0.54 . . . . 0.0 110.442 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.32 -51.76 8.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.929 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -137.08 147.88 46.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.671 -174.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.54 112.44 12.09 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.3 t -124.96 112.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 111.669 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.435 ' HB3' ' N ' ' B' ' 150' ' ' LEU . 0.5 OUTLIER -110.67 106.28 57.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.69 118.77 5.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.755 2.303 . . . . 0.0 112.308 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.44 ' HB3' ' HB1' ' B' ' 149' ' ' ALA . 3.6 pp -68.42 150.59 47.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.483 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.09 94.62 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.38 0.61 . . . . 0.0 111.303 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -101.21 99.37 9.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.672 0.749 . . . . 0.0 110.133 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.3 59.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.871 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -113.82 11.19 17.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 61.37 -95.99 0.06 Allowed 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.961 -174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -172.78 24.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.675 -177.145 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -87.36 124.45 33.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.278 0.561 . . . . 0.0 109.6 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -98.01 28.58 3.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.73 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -77.34 95.23 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 109.771 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.4 ' OE1' HD11 ' B' ' 147' ' ' ILE . 88.2 mt-30 -95.98 152.0 18.92 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.81 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.48 ' CD1' ' HG2' ' B' ' 144' ' ' GLU . 10.5 m-85 -106.92 112.03 24.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -100.75 107.79 19.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.344 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.817 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 23.3 t -104.8 113.84 27.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.765 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 41.6 tp -115.47 134.06 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.804 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.973 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 86.9 m -127.05 121.26 31.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.26 31.18 1.74 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -90.9 124.87 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.7 m -75.13 -46.87 31.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.003 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -168.63 164.72 12.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.928 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -100.41 140.12 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.632 0.253 . . . . 0.0 110.375 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.429 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 82.4 mt-30 -96.23 -34.46 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.0 110.091 177.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.4 t -161.72 130.68 4.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -119.24 105.1 11.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.93 153.84 76.28 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.653 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.32 7.79 1.07 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.736 2.29 . . . . 0.0 113.629 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' B' ' 129' ' ' LEU . 63.7 mttt -134.26 -31.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 20.8 mt-10 -135.31 115.6 13.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 111.054 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.12 124.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.82 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.18 101.3 12.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.77 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.11 109.66 21.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.697 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.429 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 36.0 tt0 -79.96 106.4 11.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.6 p -93.06 -177.23 4.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.932 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -44.45 -47.31 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 124.059 0.849 . . . . 0.0 112.06 -171.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -145.01 48.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.283 0.563 . . . . 0.0 110.105 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -172.59 -173.18 38.96 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.654 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 59.9 t -138.98 120.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -96.15 111.83 23.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.738 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.3 m -91.74 110.24 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 51.2 mt -93.86 116.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.578 ' HD2' ' HG2' ' B' ' 112' ' ' GLU . 32.5 tptt -113.23 127.79 56.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.03 -148.27 10.3 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.824 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 146' ' ' LEU . 65.4 mm-40 -127.85 137.35 52.31 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.984 0.514 . . . . 0.0 110.386 -176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.2 mttm 58.74 54.74 5.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.089 172.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -78.11 72.6 4.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.37 178.02 45.88 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.878 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 50.8 mm 71.3 97.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.626 0.727 . . . . 0.0 110.342 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -104.69 84.56 2.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.006 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . 0.427 ' HB3' HG21 ' B' ' 141' ' ' VAL . 17.6 t-160 -87.1 85.73 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.672 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.57 93.42 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -91.24 -78.03 0.4 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.888 -171.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 63.89 20.25 12.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.106 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.46 72.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 83.64 -9.11 1.03 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.655 -172.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.22 1.85 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.959 171.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.492 ' HG2' HG22 ' B' ' 100' ' ' THR . 44.7 mt-30 -112.32 110.47 20.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.616 0.245 . . . . 0.0 110.383 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' B' ' 133' ' ' HIS . 7.8 p -137.05 134.34 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.0 111.356 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -119.5 112.54 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.535 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.6 t -102.57 138.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.438 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . 0.48 ' HG2' ' CD1' ' B' ' 96' ' ' PHE . 52.7 mt-10 -118.27 125.03 49.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.655 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.94 -163.53 37.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.107 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 40.9 mt -99.62 93.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.4 HD11 ' OE1' ' B' ' 95' ' ' GLN . 22.1 pt -82.98 115.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.537 0.684 . . . . 0.0 110.675 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.3 -40.34 21.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.25 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 83' ' ' LEU . . . -155.03 163.79 39.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.435 ' N ' ' HB3' ' A' ' 81' ' ' TYR . 94.7 mt -137.05 124.43 21.97 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.738 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.1 t -109.85 109.61 29.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.191 0.519 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -146.37 98.19 4.31 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.9 -104.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.229 1.953 . . . . 0.0 112.583 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 91.3 mt 57.53 15.33 2.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' B' ' 157' ' ' HIS . 45.9 mt-10 -64.12 -37.39 87.27 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.23 -6.75 1.08 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.928 0.767 . . . . 0.0 110.632 -174.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' B' ' 155' ' ' GLU . 55.8 t60 50.37 74.77 0.2 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.895 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . 0.423 ' HD2' ' O ' ' B' ' 155' ' ' GLU . 7.1 p80 -107.29 63.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' B' ' 160' ' ' HIS . 11.1 m170 66.26 -66.64 0.17 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' B' ' 159' ' ' HIS . 56.9 t-80 73.96 -66.0 0.32 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 . . . . . 0 C--O 1.242 0.694 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.638 172.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.84 40.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.23 -170.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HA ' HD13 ' B' ' 118' ' ' ILE . 6.3 t30 -92.21 -15.01 28.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.19 121.33 19.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.218 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -97.88 148.8 23.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.807 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -106.32 111.21 23.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB3' HG22 ' A' ' 72' ' ' VAL . 43.3 tp -96.44 113.38 24.95 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.223 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 32.3 m -113.86 113.4 24.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.838 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD12 HD13 ' B' ' 97' ' ' LEU . 26.7 tp -133.91 137.17 44.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 p -100.59 156.07 17.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.14 47.93 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.916 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.677 HG23 HG11 ' A' ' 70' ' ' VAL . 48.6 t -66.95 115.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 109.804 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 m -94.3 -39.44 10.5 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -169.72 163.73 9.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -100.95 138.7 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -96.48 -37.56 10.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -154.47 122.64 6.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -108.47 104.63 14.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 0.0 111.213 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -123.16 142.7 39.06 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.0 Cg_exo -64.96 -11.66 30.79 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.107 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -104.4 -19.27 14.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.877 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.9 tt0 -168.85 121.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.564 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.2 mt -114.81 130.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.693 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.41 102.14 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.75 123.31 42.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.51 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.78 118.1 27.07 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.389 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -101.05 -164.45 1.11 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.41 89.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 O-C-N 123.466 0.479 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 54.96 43.59 29.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.997 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.52 173.58 34.3 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.0 t -134.16 115.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 117.346 0.573 . . . . 0.0 110.861 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 60.5 tp -99.33 113.54 25.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.838 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -90.18 116.5 28.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -103.16 110.59 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HB1' ' A' ' 78' ' ' ALA . 59.4 tttp -110.02 138.89 45.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 166.54 -145.82 10.32 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.192 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -137.62 139.42 40.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.911 0.355 . . . . 0.0 111.466 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt 61.14 52.79 3.83 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.732 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.27 73.04 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.08 121.88 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.854 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG22 HG13 ' A' ' 72' ' ' VAL . 35.6 pt -88.63 -25.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.671 0.272 . . . . 0.0 110.453 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 71.97 -56.32 0.64 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.745 0.818 . . . . 0.0 111.274 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -121.63 135.51 54.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.297 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -123.89 28.3 6.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.319 0.58 . . . . 0.0 110.69 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 66' ' ' LYS . 12.3 p-10 -82.78 -2.78 55.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.148 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 65' ' ' LEU . 5.7 tt 74.47 -32.83 0.24 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.691 0.796 . . . . 0.0 110.558 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 64' ' ' ASP . 44.6 tttp 69.24 -83.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.697 0.799 . . . . 0.0 111.462 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.55 22.14 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.245 0.545 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 97.74 41.73 3.28 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.469 -175.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -144.16 144.23 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.677 HG11 HG23 ' A' ' 31' ' ' VAL . 10.4 p -141.91 137.05 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 0.0 110.621 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -123.3 106.47 10.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.494 HG13 HG22 ' A' ' 60' ' ' ILE . 35.3 m -109.19 144.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.944 0.402 . . . . 0.0 111.626 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.68 170.78 42.28 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.353 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.3 mt -83.12 77.31 9.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.432 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.3 pt -77.39 143.51 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.826 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.59 -58.84 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.993 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 54' ' ' LYS . . . -122.04 138.41 54.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.695 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.25 114.84 24.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 171.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.838 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 45.8 t -112.96 113.49 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.966 0.412 . . . . 0.0 111.316 -175.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' B' ' 150' ' ' LEU . 4.0 t80 -144.0 97.86 5.26 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 174.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.95 -53.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.138 2.559 . . . . 0.0 112.851 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp 62.32 90.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.576 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -92.1 -28.77 16.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.918 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -84.28 142.05 30.52 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' C ' ' H ' ' A' ' 88' ' ' HIS . 84.8 m-70 -76.67 4.59 9.15 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -169.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 75.95 -33.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.251 0.62 . . . . 0.0 111.66 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.408 ' H ' ' C ' ' A' ' 86' ' ' HIS . 44.0 p-80 -157.55 157.65 34.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.502 0.192 . . . . 0.0 110.991 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.2 t60 76.35 147.89 0.1 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.906 0.86 . . . . 0.0 113.176 168.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.621 173.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.6 -72.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.378 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.518 ' HB3' HD11 ' B' ' 146' ' ' LEU . 0.2 OUTLIER -154.28 -29.59 0.12 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.75 -175.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -60.36 129.7 42.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -128.73 147.59 50.78 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -100.62 123.61 45.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.801 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 28' ' ' LEU . 60.3 tp -118.29 122.55 43.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.857 0.361 . . . . 0.0 110.728 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.605 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 11.3 t -122.56 126.94 48.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.937 177.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.471 HD23 HD22 ' B' ' 122' ' ' LEU . 15.5 tp -124.73 142.71 51.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.035 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 174.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.68 29.56 42.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.754 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.06 117.6 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -77.17 -48.63 17.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.719 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -171.54 173.21 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.966 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.03 136.32 31.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.361 . . . . 0.0 110.658 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.542 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 75.6 mt-30 -89.71 -50.7 5.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.329 0.585 . . . . 0.0 110.31 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m -140.94 126.53 18.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.923 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -112.32 105.48 13.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 0.0 110.269 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 14.5 t70 -130.32 136.85 29.63 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.208 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 34.4 Cg_exo -59.88 -14.59 28.2 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.858 2.372 . . . . 0.0 113.435 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -105.59 -16.61 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.424 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.61 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 39.2 tt0 -165.8 115.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.056 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.4 mt -108.88 136.22 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt -111.1 107.36 16.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.477 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 92.2 mt -94.68 129.09 41.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.767 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.542 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.5 tm-20 -94.39 106.78 18.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.45 HG22 HD21 ' B' ' 99' ' ' LEU . 64.4 p -107.08 -178.58 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.506 -173.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 22' ' ' ASN . 63.2 mt -22.97 -64.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.13 1.372 . . . . 0.0 113.674 -177.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -142.48 27.27 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.342 0.591 . . . . 0.0 109.662 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.83 -171.54 19.72 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.338 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.575 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 40.7 t -132.49 143.33 40.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' B' ' 152' ' ' TYR . 32.7 tp -118.94 121.92 41.06 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.552 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.5 m -101.59 111.84 24.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.585 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 6.5 mm -97.45 110.88 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -112.51 132.62 55.0 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.742 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.85 -143.79 7.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.6 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -134.25 139.14 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.594 0.235 . . . . 0.0 110.868 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 49.19 62.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.605 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.25 72.68 10.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.676 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.45 140.84 28.89 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.672 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 12.7 tt -117.88 143.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 O-C-N 122.638 -0.33 . . . . 0.0 110.583 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -81.0 147.47 30.19 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -74.62 82.15 2.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.28 103.28 10.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.05 152.63 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.165 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 96.6 mt -74.04 78.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.48 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -76.77 -54.68 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.595 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -115.32 22.49 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.062 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.32 52.62 21.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.005 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.89 140.91 52.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 98' ' ' SER . 93.0 t -132.68 143.9 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.346 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -130.55 119.53 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.82 141.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.87 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.38 139.7 51.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.76 -162.99 35.44 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.147 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 93' ' ' ASN . 2.2 mm? -92.94 85.17 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 33.0 pt -80.16 140.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.66 -48.65 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -133.03 144.84 50.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 0.0 112.086 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 81' ' ' TYR . 3.0 mm? -123.95 124.19 42.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.932 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.6 t -126.62 127.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.591 ' CD2' HD11 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -121.77 98.67 45.29 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 9.6 Cg_endo -56.14 121.59 10.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.831 2.354 . . . . 0.0 111.584 172.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 78' ' ' ALA . 70.6 mt -91.63 142.73 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.495 -171.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.79 -177.01 0.14 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 124.353 1.033 . . . . 0.0 113.485 168.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -82.87 -25.25 32.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.583 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.13 106.71 18.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -84.96 115.02 22.57 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.915 -172.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -65.77 128.07 34.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -154.61 84.97 1.11 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.477 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.005 -177.201 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' HG2' ' A' ' 23' ' ' ARG . 4.0 t70 68.81 -172.89 0.18 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.058 0.849 . . . . 0.0 110.642 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -122.55 -12.53 8.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.409 0.623 . . . . 0.0 109.631 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 21' ' ' ASP . 8.4 ptp180 -93.86 142.31 27.52 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.776 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -119.17 143.34 47.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -97.73 112.82 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -99.73 109.36 21.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.546 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 19.5 m -110.21 110.84 21.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.879 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 51' ' ' LEU . 50.2 tp -126.66 135.4 51.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 p -97.93 -179.04 4.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 32.19 83.39 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.637 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' HA ' HG23 ' A' ' 46' ' ' THR . 43.5 t -97.34 116.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.749 0.309 . . . . 0.0 110.333 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -75.12 -47.38 28.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.832 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -169.55 150.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.15 119.69 32.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -73.8 -45.3 52.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.603 0.716 . . . . 0.0 110.147 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.9 t -138.39 127.7 24.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.409 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -120.87 104.16 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 39' ' ' PRO . 19.0 t70 -130.58 147.59 66.62 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.33 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 38' ' ' ASP . 9.4 Cg_endo -51.5 -12.79 1.09 Allowed 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.574 2.849 . . . . 0.0 114.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' A' ' 40' ' ' LYS . 10.7 ptpt -140.19 13.64 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.35 -0.54 . . . . 0.0 112.388 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -156.47 120.7 4.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.619 0.247 . . . . 0.0 110.436 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 53' ' ' ILE . 71.7 mt -134.7 117.63 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.602 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 52' ' ' SER . 98.9 mt -102.03 106.21 17.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.373 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.731 HD13 HD23 ' A' ' 51' ' ' LEU . 85.2 mt -93.72 110.39 22.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.064 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.13 106.15 12.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 31' ' ' VAL . 59.0 p -111.75 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.0 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -33.03 -56.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.323 1.015 . . . . 0.0 113.56 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -140.14 37.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 111.509 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' A' ' 82' ' ' PRO . . . 170.36 162.02 21.93 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.716 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.06 130.06 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 110.548 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD23 HD13 ' A' ' 44' ' ' LEU . 51.4 tp -94.94 117.18 29.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.767 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.461 ' HA ' HD21 ' A' ' 43' ' ' LEU . 14.3 m -92.09 106.18 18.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.31 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 55.8 mt -97.07 120.29 46.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.277 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 3.8 ttmp? -123.38 135.94 54.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.697 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.56 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 172.59 -149.95 12.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.059 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -135.59 145.49 46.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 122.326 0.25 . . . . 0.0 110.674 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.78 44.23 8.84 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.502 0.501 . . . . 0.0 111.727 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 HD23 HG22 ' A' ' 53' ' ' ILE . 10.3 mp -76.74 73.11 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' O ' ' HB ' ' A' ' 60' ' ' ILE . . . -113.75 178.64 18.51 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.219 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 2.6 mp 72.38 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.271 0.558 . . . . 0.0 111.166 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -177.76 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.552 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 73.49 123.55 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -167.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -57.17 -42.8 81.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -166.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.442 ' CG ' ' HZ1' ' A' ' 66' ' ' LYS . 1.6 p-10 -57.91 157.92 7.15 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.711 0.767 . . . . 0.0 112.502 -173.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 tp -110.44 105.04 13.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.209 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HZ1' ' CG ' ' A' ' 64' ' ' ASP . 48.2 mmtm -55.5 -47.15 76.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.99 -178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.82 -66.84 0.07 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.309 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.66 65.78 0.22 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.496 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -153.42 141.98 20.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.718 -0.284 . . . . 0.0 110.63 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.09 132.75 70.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.231 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.88 107.22 9.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 10.7 p -130.01 147.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.653 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -115.39 144.23 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.258 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.67 38.95 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.301 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -96.05 72.86 2.96 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.56 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 13.0 pt -78.53 131.8 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.532 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 15.0 m-20 -97.08 -40.04 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.807 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' B' ' 154' ' ' LEU . . . -137.32 134.15 35.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 112.14 -175.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -121.38 113.97 20.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 172.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.411 ' O ' HD11 ' A' ' 51' ' ' LEU . 61.9 t -117.29 115.5 48.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.712 0.291 . . . . 0.0 111.483 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.594 ' CD1' ' HD2' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -103.21 141.26 22.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.594 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 59.4 Cg_exo -52.58 107.51 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.862 2.374 . . . . 0.0 113.458 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.4 tp -143.08 -51.6 0.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 1.7 mp0 59.55 -115.56 0.75 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.859 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 70.81 -56.03 0.63 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.66 0.784 . . . . 0.0 111.3 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -108.17 3.43 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 0.0 109.947 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 84' ' ' GLU . 11.2 m-70 -75.6 118.51 18.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -77.7 151.6 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.919 -175.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -68.2 -174.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.018 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.97 179.73 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.668 0.271 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' B' ' 93' ' ' ASN . 1.6 p-10 -75.23 -86.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 0.0 110.369 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.49 ' H ' ' CG ' ' B' ' 92' ' ' ASP . 0.2 OUTLIER -126.15 -26.56 3.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -69.52 130.8 43.46 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.233 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -115.49 143.9 44.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -102.0 112.85 25.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.7 tp -113.41 125.87 54.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.921 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.546 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 30.5 t -124.04 122.12 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.376 175.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.01 138.87 52.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.494 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.519 HG22 ' HG2' ' B' ' 140' ' ' GLN . 65.5 p -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.349 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 9.27 68.54 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.79 139.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.769 0.318 . . . . 0.0 110.248 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.7 p -114.86 -39.56 3.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.441 ' HB2' ' HB3' ' B' ' 116' ' ' GLU . 58.3 mttp -140.12 150.84 44.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.41 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.753 HE21 ' HB2' ' B' ' 116' ' ' GLU . 82.4 mm-40 -63.89 -58.34 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.41 ' OG ' ' HB2' ' B' ' 114' ' ' LEU . 11.9 p -156.65 117.94 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 132' ' ' LYS . 72.4 t80 -91.28 107.91 19.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 18.7 t70 -130.78 133.15 24.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.389 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 24.2 Cg_exo -66.37 14.1 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.248 2.632 . . . . 0.0 113.86 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' B' ' 109' ' ' ASP . 67.9 mttm -131.24 -34.22 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.988 0.423 . . . . 0.0 110.052 172.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -139.25 103.25 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 66.4 mt -93.87 114.09 29.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.214 0.53 . . . . 0.0 109.929 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.41 ' HB2' ' OG ' ' B' ' 107' ' ' SER . 81.6 mt -105.18 116.58 32.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.303 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.501 ' C ' HD21 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -132.77 151.08 52.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.366 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.753 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -101.32 127.1 48.09 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 119' ' ' GLN . 5.2 t -123.53 146.62 47.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 47.41 -79.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 117' ' ' THR . 20.0 tt0 -148.75 11.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.495 . . . . 0.0 110.682 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.53 151.61 20.92 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.318 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 42.7 t -93.15 129.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 tt -106.43 146.29 30.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.667 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.667 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 30.2 t -115.66 120.34 39.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 111.404 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.3 mt -104.78 115.42 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.11 135.48 54.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.839 0.352 . . . . 0.0 111.437 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.777 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 171.95 -154.71 22.31 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.056 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -120.77 140.18 52.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.457 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 51.5 tttm 54.96 63.4 2.14 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.441 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.39 72.53 9.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.723 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.93 -178.73 34.75 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.119 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 55.0 mt 64.4 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.513 0.673 . . . . 0.0 109.993 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -94.31 105.67 17.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.83 -175.269 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -84.73 80.7 9.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.0 pp -85.36 16.76 3.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.383 -172.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.78 85.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 0.0 110.876 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 tt -83.89 77.3 9.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -137.56 -59.28 0.68 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.891 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -91.45 -3.89 56.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.725 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.18 50.69 49.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.427 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' B' ' 100' ' ' THR . 26.0 mt-30 -131.71 136.32 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 8.5 p -139.87 129.98 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.298 0.57 . . . . 0.0 111.955 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -111.75 142.9 43.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.934 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 12.7 p -143.56 146.23 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.567 0.222 . . . . 0.0 110.825 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -121.58 131.49 54.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 160.67 -178.97 36.46 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.21 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.452 HD11 ' N ' ' B' ' 146' ' ' LEU . 4.1 mp -87.98 74.1 9.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.05 0.452 . . . . 0.0 110.017 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.777 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 31.8 pt -74.29 132.95 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.422 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.12 -24.52 14.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.09 148.3 25.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.488 0.661 . . . . 0.0 112.134 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.65 120.15 31.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.322 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.5 t -113.14 116.37 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.089 0.471 . . . . 0.0 111.62 -173.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.37 110.09 43.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.87 88.04 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.759 2.306 . . . . 0.0 112.751 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 78' ' ' ALA . 3.2 tm? -85.73 -44.21 12.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.47 103.87 13.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -76.13 147.11 38.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.447 -172.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -67.68 98.65 0.72 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.17 139.9 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 63.45 98.52 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 O-C-N 124.038 0.836 . . . . 0.0 112.394 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.25 83.54 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.459 . . . . 0.0 111.275 174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.153 172.218 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.575 ' O ' HD13 ' B' ' 118' ' ' ILE . 25.3 t70 -77.67 84.35 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.477 ' HB2' HD22 ' A' ' 75' ' ' LEU . 15.8 m120 -118.96 -3.96 10.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.633 -178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -88.92 99.97 12.82 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.742 0.782 . . . . 0.0 109.989 -177.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.488 ' OE1' HD13 ' A' ' 76' ' ' ILE . 78.1 mt-30 -95.05 155.13 16.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.05 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.23 111.68 23.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.0 tp -99.79 107.84 19.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.024 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 15.9 m -110.27 122.81 48.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.937 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 29' ' ' THR . 45.2 tp -137.95 159.79 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.087 0.47 . . . . 0.0 110.624 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -130.18 159.35 37.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.416 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.06 33.02 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.35 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.82 123.76 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -98.38 -33.99 10.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 24.5 ttmt -157.4 153.09 26.66 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.865 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -104.69 121.25 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.29 -49.75 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -147.46 138.12 23.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.721 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -120.34 105.13 10.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.247 0.546 . . . . 0.0 111.059 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -133.91 142.07 42.11 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.82 -10.42 5.47 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.079 2.519 . . . . 0.0 113.413 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -95.6 -31.3 13.35 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 33.6 tt0 -158.97 125.59 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 -174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.5 121.55 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.001 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.94 105.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.553 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -97.75 118.03 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 31.2 tt0 -79.92 112.87 17.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 p -99.69 173.55 6.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.374 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -35.55 -55.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.377 1.048 . . . . 0.0 111.804 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -139.96 72.42 1.4 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.288 0.566 . . . . 0.0 109.644 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.17 -169.38 36.73 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.635 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.3 t -139.03 126.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 tp -96.96 111.18 23.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.694 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 41.3 t -90.39 101.76 14.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.711 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 46.2 mt -89.58 110.39 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -108.73 137.75 46.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 169.82 -138.34 4.98 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.306 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.568 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 25.0 tt0 -157.59 152.29 25.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.568 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 34.7 mmtp 65.8 29.64 10.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.595 0.236 . . . . 0.0 110.473 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 HD22 HG23 ' A' ' 53' ' ' ILE . 8.3 mp -70.49 73.24 0.52 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.611 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.74 114.01 4.28 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.052 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 71' ' ' GLU . 7.4 tt -92.69 100.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.386 0.612 . . . . 0.0 110.413 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -87.84 77.36 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -167.24 139.49 3.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.521 -1.218 . . . . 0.0 107.864 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.654 HD21 ' HE3' ' A' ' 66' ' ' LYS . 1.9 pt? -60.56 162.54 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.97 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.4 tp 70.46 -61.93 0.45 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.841 0.856 . . . . 0.0 113.204 171.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.654 ' HE3' HD21 ' A' ' 63' ' ' LEU . 38.1 ttmt 66.92 -81.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.569 0.748 . . . . 0.0 110.96 -173.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.0 10.82 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.663 0.268 . . . . 0.0 111.431 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.49 26.34 6.24 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -113.84 124.2 51.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -118.58 134.85 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.007 0.432 . . . . 0.0 111.075 -176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 60' ' ' ILE . 36.1 mt-10 -129.64 106.28 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.55 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.24 126.0 74.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.653 0.263 . . . . 0.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -115.48 125.79 53.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 172.99 -175.45 45.93 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.923 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 22' ' ' ASN . 42.0 mt -87.3 83.8 7.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.488 HD13 ' OE1' ' A' ' 24' ' ' GLN . 39.4 pt -72.54 145.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.29 0.567 . . . . 0.0 110.587 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 35.2 t70 -113.11 -45.81 3.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.477 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.66 163.45 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.9 mt -131.07 125.74 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.694 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 59.5 t -117.28 128.08 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.603 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.66 112.43 13.83 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.93 125.89 20.6 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.937 2.425 . . . . 0.0 111.958 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -138.49 -7.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.13 -174.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.5 mp0 -64.36 -90.31 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 -175.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -158.68 121.85 3.79 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -132.3 161.39 33.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.114 0.483 . . . . 0.0 110.803 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -111.94 -177.58 3.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -106.12 -90.8 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 175.53 136.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.27 176.496 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 10.9 tmm? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -166.84 147.05 5.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.569 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -89.89 1.24 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -77.84 89.81 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -89.89 146.4 24.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.98 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.97 112.19 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.686 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.7 107.27 18.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.35 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 14.9 m -104.42 122.99 46.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.177 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.553 HD23 HD23 ' B' ' 122' ' ' LEU . 36.0 tp -127.7 132.92 49.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -109.45 125.58 52.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.107 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.55 4.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.172 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.412 HG11 HD21 ' B' ' 115' ' ' LEU . 27.6 t -84.36 144.02 10.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -106.6 -47.8 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.656 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -149.78 146.63 27.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.19 119.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 171.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.517 HE21 ' HB2' ' B' ' 116' ' ' GLU . 73.3 mt-30 -77.47 -41.8 38.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.431 . . . . 0.0 110.43 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -150.96 132.9 15.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.816 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -116.96 105.81 12.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.221 0.534 . . . . 0.0 110.267 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.35 140.71 36.87 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.61 -16.9 11.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.777 2.318 . . . . 0.0 113.522 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -118.74 1.39 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 36.5 tt0 -163.34 120.62 1.86 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.066 0.46 . . . . 0.0 111.7 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.453 HG13 HD22 ' B' ' 129' ' ' LEU . 62.0 mt -116.59 125.11 73.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 94.3 mt -103.33 104.2 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.461 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.467 HD12 HD22 ' B' ' 122' ' ' LEU . 93.3 mt -98.82 115.52 28.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.091 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.517 ' HB2' HE21 ' B' ' 106' ' ' GLN . 41.6 tt0 -83.77 116.16 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.3 t -124.26 -177.75 3.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.76 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.608 HG21 ' HG3' ' B' ' 119' ' ' GLN . 41.2 mt -34.25 -68.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.027 1.331 . . . . 0.0 113.474 -171.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.608 ' HG3' HG21 ' B' ' 118' ' ' ILE . 24.5 mt-30 -129.55 49.28 2.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.736 0.303 . . . . 0.0 110.73 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.87 -169.6 40.89 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.459 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.63 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 61.1 t -132.0 140.23 48.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.553 HD23 HD23 ' B' ' 99' ' ' LEU . 59.6 tp -104.13 114.9 29.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.502 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.6 t -98.78 104.55 16.61 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 24.8 mt -95.23 115.8 35.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.23 140.39 47.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.29 -137.07 4.65 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 156.72 34.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 65.21 32.51 9.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 0.0 110.439 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.453 HD22 HG13 ' B' ' 113' ' ' ILE . 7.9 mp -74.26 75.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.756 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.62 -129.77 1.09 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.215 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 73.2 mt 70.68 120.1 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' B' ' 133' ' ' HIS . 0.2 OUTLIER 75.95 -46.23 0.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 165.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . 0.521 ' HB2' ' HD3' ' B' ' 132' ' ' LYS . 3.3 m170 -137.06 93.8 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.635 -0.665 . . . . 0.0 111.829 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.44 HD21 ' O ' ' B' ' 134' ' ' LEU . 6.3 tt -96.28 -36.02 11.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.628 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.51 128.15 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.223 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.581 HD12 ' HA2' ' B' ' 139' ' ' GLY . 2.6 pt? -86.26 -3.44 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.048 0.217 . . . . 0.0 111.476 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.7 tptm 54.27 -93.56 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.361 0.664 . . . . 0.0 112.102 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -98.93 -11.97 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.079 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . 0.581 ' HA2' HD12 ' B' ' 136' ' ' LEU . . . 138.88 9.42 0.97 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.623 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -112.11 110.33 20.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 15.0 p -113.16 141.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.064 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -130.75 106.38 8.42 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.18 126.57 56.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 -175.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -113.6 129.32 56.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.599 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.29 38.59 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.532 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 62.3 mt -89.11 86.56 6.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.53 124.38 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.275 0.56 . . . . 0.0 110.646 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -94.8 -47.53 6.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.793 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -150.13 145.51 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.944 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.15 127.51 54.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.753 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.0 t -123.47 123.98 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.077 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -124.45 98.15 38.43 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.519 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.63 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 17.0 Cg_exo -69.45 146.82 63.31 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.681 2.254 . . . . 0.0 111.378 169.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.35 -174.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.054 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 119' ' ' GLN . 29.4 tt0 -67.86 81.85 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.27 0.557 . . . . 0.0 110.014 176.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.61 129.45 34.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.554 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -89.45 99.6 12.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.171 0.51 . . . . 0.0 110.147 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -137.36 -15.23 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 18.6 m170 64.8 -175.27 0.17 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.788 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -117.1 125.14 50.8 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.534 -174.206 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.2 ttp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.658 0.265 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -83.32 -44.87 14.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -68.15 169.6 10.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.029 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 65.1 mtt180 67.34 94.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.346 0.593 . . . . 0.0 109.935 -171.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -106.08 157.89 17.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.98 112.55 24.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.73 109.38 20.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.74 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 m -116.62 131.25 57.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.238 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -140.71 137.6 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.665 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -105.85 148.02 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.787 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 -9.39 33.33 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.701 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.26 129.58 22.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -91.65 -43.98 9.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HA ' HD21 ' A' ' 65' ' ' LEU . 23.1 pttm -166.24 170.6 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.4 t -102.77 129.15 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.889 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -84.89 -57.88 2.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.138 0.494 . . . . 0.0 110.528 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -124.97 132.16 53.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.69 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -123.58 105.33 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 111.133 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -132.73 140.8 38.88 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.15 -6.79 4.09 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.078 2.519 . . . . 0.0 113.62 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.53 0.3 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.81 105.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.819 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.89 132.44 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 52' ' ' SER . 92.5 mt -109.57 104.61 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.489 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 70' ' ' VAL . 93.3 mt -92.99 120.01 32.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.781 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.83 115.1 27.62 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -123.65 -168.57 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.776 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.18 105.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 112.172 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 61.97 18.98 10.37 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.986 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' HA3' ' HH ' ' A' ' 81' ' ' TYR . . . -158.52 157.31 28.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.878 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -121.04 125.31 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 tp -96.38 109.81 22.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.835 0.35 . . . . 0.0 110.239 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.608 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.7 t -89.26 103.49 16.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.116 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.2 mt -95.31 116.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.484 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -126.53 143.59 51.15 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.102 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 164.02 -137.78 4.94 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.245 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 134.82 46.16 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.442 0.297 . . . . 0.0 110.99 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 56.59 60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.776 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.55 72.04 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.22 102.87 1.75 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.644 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 tt -100.86 127.22 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.03 0.443 . . . . 0.0 110.232 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -93.64 -32.97 13.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.14 87.5 5.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.8 0.333 . . . . 0.0 111.181 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -95.74 -15.5 22.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 0.0 109.91 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.95 89.25 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.322 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.684 HD21 ' HA ' ' A' ' 33' ' ' LYS . 57.1 tp -88.22 101.08 13.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.852 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -141.61 -34.48 0.48 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.05 -31.54 14.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 51.77 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.663 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.19 125.07 17.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG21 HD21 ' A' ' 44' ' ' LEU . 80.3 t -108.04 138.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.52 106.57 6.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.409 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.45 136.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.98 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -120.74 125.55 47.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.461 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 163.49 -166.22 37.12 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.135 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.2 mt -89.24 97.19 11.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -86.36 110.37 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.094 0.473 . . . . 0.0 110.26 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 1.1 m-20 -86.27 -39.35 16.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.27 161.36 42.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 111.471 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 53' ' ' ILE . 96.9 mt -139.93 118.24 12.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.118 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.608 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -115.21 120.55 64.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HH ' ' HA3' ' A' ' 49' ' ' GLY . 11.9 t80 -132.24 107.35 13.52 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.0 115.65 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.479 2.12 . . . . 0.0 111.259 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.951 ' HB3' ' HB3' ' B' ' 149' ' ' ALA . 0.0 OUTLIER -77.79 156.7 30.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 -177.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 11.1 tt0 -114.49 -35.68 4.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.352 178.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' A' ' 86' ' ' HIS . 34.8 t-80 71.03 -67.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.813 0.696 . . . . 0.0 109.203 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 85' ' ' HIS . 43.6 t-80 170.46 95.61 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.447 0.699 . . . . 0.0 109.338 173.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.415 ' HD2' ' CD ' ' A' ' 84' ' ' GLU . 20.0 p80 -74.78 139.39 43.28 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.305 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -76.69 170.09 17.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.858 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.5 t60 69.08 127.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.011 0.819 . . . . 0.0 111.053 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.303 177.234 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 121.58 0.705 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -172.72 -132.95 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.765 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -75.42 -18.4 59.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -75.82 112.64 12.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -98.75 135.25 40.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.834 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.47 113.6 25.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.521 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.78 116.7 32.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 11.5 t -113.6 133.57 55.21 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.81 141.2 34.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.679 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 58.7 p -115.53 19.18 15.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -126.85 34.9 3.01 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.668 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 44.3 t -100.08 140.62 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -105.01 -40.28 5.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.789 ' HA ' HD22 ' B' ' 136' ' ' LEU . 39.9 ttmt -165.57 163.09 19.41 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.618 HG13 HD21 ' B' ' 115' ' ' LEU . 33.8 m -100.57 125.64 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.083 0.468 . . . . 0.0 110.13 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -79.75 -55.03 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.216 0.531 . . . . 0.0 110.032 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.1 m -130.8 118.61 21.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.051 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -105.26 105.72 15.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.87 140.43 37.66 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.14 -23.78 30.62 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.851 2.367 . . . . 0.0 113.854 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 30.4 mttp -102.83 -15.21 16.3 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 29.4 tt0 -161.75 117.3 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.198 0.523 . . . . 0.0 111.294 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.91 129.94 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.265 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -100.36 100.43 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.192 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.618 HD21 HG13 ' B' ' 105' ' ' VAL . 95.4 mt -89.14 118.74 29.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.113 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.62 103.93 12.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 57.3 p -84.66 -164.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.29 91.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.454 0.471 . . . . 0.0 110.601 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 62.23 10.93 4.1 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.482 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.94 -172.86 13.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.423 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 20.8 t -136.99 132.18 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.65 0.262 . . . . 0.0 110.473 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 66.2 tp -115.02 116.09 27.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.691 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.5 t -90.31 112.91 24.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 0.0 110.31 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -92.55 116.0 32.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -113.01 138.26 50.15 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.276 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.706 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 160.94 -163.61 34.33 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' B' ' 111' ' ' LYS . 4.0 mp0 -117.08 144.32 44.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.884 0.342 . . . . 0.0 110.687 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 57.31 50.25 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.012 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.12 72.1 1.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.257 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -89.18 119.79 5.55 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.757 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.645 HG12 HG21 ' B' ' 143' ' ' VAL . 58.5 mt -73.52 119.82 21.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.965 0.412 . . . . 0.0 110.014 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -79.76 -45.46 18.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.246 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -88.78 82.17 6.85 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.19 77.87 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -168.92 122.81 0.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.789 HD22 ' HA ' ' B' ' 104' ' ' LYS . 34.7 tp -93.74 -3.38 52.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.06 0.457 . . . . 0.0 110.633 -175.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' B' ' 138' ' ' ALA . 64.9 tttp -68.81 141.91 55.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 137' ' ' LYS . . . 78.15 -14.61 0.84 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.027 0.829 . . . . 0.0 110.811 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.05 79.81 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.537 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.41 117.33 33.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.0 p -118.95 151.74 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 0.0 110.951 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -139.37 110.76 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.645 HG21 HG12 ' B' ' 131' ' ' ILE . 45.8 t -115.47 131.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.714 0.292 . . . . 0.0 110.663 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.13 131.72 56.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.2 -174.26 46.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.777 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.4 71.4 3.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.706 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 14.4 pt -75.15 134.52 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.441 0.638 . . . . 0.0 111.834 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.53 -29.76 11.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.887 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.951 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . . . -156.91 160.8 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 112.837 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.497 HD23 HD12 ' B' ' 147' ' ' ILE . 3.8 mm? -136.06 118.04 15.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.564 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.691 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 53.7 t -117.13 113.33 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.943 0.402 . . . . 0.0 111.32 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.402 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -125.2 107.98 27.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.273 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 74.4 Cg_endo -75.11 174.48 12.72 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.004 2.47 . . . . 0.0 112.662 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.37 109.85 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.342 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.64 -70.36 0.26 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.806 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.5 141.05 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -96.52 16.18 19.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.12 0.486 . . . . 0.0 110.807 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -111.32 112.11 23.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -136.36 110.95 8.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.247 0.546 . . . . 0.0 110.133 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -66.08 -22.29 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.774 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.56 172.713 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.433 ' HG2' ' H ' ' A' ' 21' ' ' ASP . 5.2 ttt . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' H ' ' HG2' ' A' ' 20' ' ' MET . 5.5 m-20 72.15 168.42 0.31 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.785 0.802 . . . . 0.0 112.419 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.69 27.21 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 79.9 mtt180 -73.89 108.33 6.64 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.793 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -106.95 143.42 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.656 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.72 112.6 24.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -107.43 133.61 51.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.653 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 32.2 t -132.72 117.05 17.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 tp -124.66 132.42 53.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 69' ' ' GLN . 30.4 p -101.65 122.76 44.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.4 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.17 27.73 1.79 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.05 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 44' ' ' LEU . 61.2 t -94.07 128.15 45.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -100.53 -17.38 17.13 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -169.0 153.59 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.804 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 m -103.94 109.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 76.5 mt-30 -69.9 -55.0 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -174.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 m -133.94 119.74 19.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.013 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -93.33 105.41 17.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.265 0.555 . . . . 0.0 110.035 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 14.6 t70 -131.21 132.98 24.05 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 26.6 Cg_exo -62.89 -9.67 17.44 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.793 2.329 . . . . 0.0 113.453 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -117.95 -1.99 11.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 111.269 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.64 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 44.2 tt0 -168.26 108.1 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.192 0.52 . . . . 0.0 111.498 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 HG13 HD22 ' A' ' 58' ' ' LEU . 65.9 mt -104.27 122.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.187 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -94.95 106.46 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 91.6 mt -91.49 122.53 34.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 43.7 tt0 -94.07 116.08 28.47 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -106.76 178.24 4.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.537 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.608 HG13 ' H ' ' A' ' 48' ' ' GLN . 8.2 pt -30.51 -57.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 124.669 1.231 . . . . 0.0 113.033 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.608 ' H ' HG13 ' A' ' 47' ' ' ILE . 24.6 mm-40 -147.8 58.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.355 0.598 . . . . 0.0 110.339 173.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.19 -179.71 41.89 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.923 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.84 121.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 59.3 tp -96.39 107.58 19.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.707 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -89.2 103.15 15.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.64 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 50.4 mt -89.59 114.16 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -109.58 144.99 37.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.62 -146.94 14.73 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.891 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -141.15 154.14 45.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.649 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 11.0 tmtt? 60.77 49.14 6.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.628 0.728 . . . . 0.0 109.04 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 42' ' ' ILE . 7.9 mp -80.7 72.14 7.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.379 0.609 . . . . 0.0 110.277 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.46 96.46 1.02 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.121 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.439 HD12 HG12 ' A' ' 70' ' ' VAL . 9.4 tp -68.29 139.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 67.9 mttm -90.93 106.36 18.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 37.2 m80 75.18 119.7 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.367 1.042 . . . . 0.0 110.379 -170.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.0 -37.88 89.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.99 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.8 137.38 32.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.44 123.24 11.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 0.0 110.091 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -61.17 -62.09 2.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.445 -172.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 69' ' ' GLN . . . -168.01 84.21 0.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.544 0.212 . . . . 0.0 110.624 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.86 -40.0 0.8 Allowed Glycine 0 CA--C 1.523 0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 113.211 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 29' ' ' THR . 15.1 mt-30 -87.58 134.36 33.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.76 0.314 . . . . 0.0 110.585 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 60' ' ' ILE . 53.5 t -114.6 122.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.519 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.39 127.37 53.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.04 142.95 37.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.646 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -128.81 136.44 50.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.969 0.414 . . . . 0.0 110.432 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.649 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 154.58 -164.02 31.44 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.574 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.56 67.24 10.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 pt -74.57 118.78 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.395 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -87.92 -55.68 3.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.096 -173.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.6 149.8 39.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.218 0.532 . . . . 0.0 111.56 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.517 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 79.9 mt -115.9 122.39 45.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.013 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.707 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 59.5 t -108.81 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.897 0.379 . . . . 0.0 110.692 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 0.2 OUTLIER -115.8 99.53 52.64 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.367 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.36 153.46 18.36 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.084 2.523 . . . . 0.0 112.2 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.2 mt -99.04 138.38 36.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.004 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.32 -45.49 62.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -77.29 83.42 3.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.49 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 73.7 t60 -170.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.864 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 86' ' ' HIS . 17.7 t-80 175.99 -46.7 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.632 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -67.65 114.33 6.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.011 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -86.69 114.49 23.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--O 1.249 1.038 0 O-C-N 123.901 0.751 . . . . 0.0 110.077 -174.402 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.625 0.25 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -95.72 81.82 3.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.25 0.548 . . . . 0.0 109.988 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -89.91 -8.77 51.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -81.72 93.2 6.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.259 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.91 141.67 28.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.973 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -98.0 116.71 30.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.7 tp -109.66 110.81 21.96 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 15.4 m -104.28 114.3 28.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.878 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.47 150.69 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.327 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.526 HG21 ' HG2' ' B' ' 140' ' ' GLN . 3.3 p -125.21 158.25 34.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.895 176.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.05 58.74 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.686 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.509 ' O ' ' HA2' ' B' ' 139' ' ' GLY . 57.8 t -58.8 106.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.153 0.501 . . . . 0.0 110.195 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -94.85 -27.1 15.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.547 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 87.9 tttt -158.9 155.24 27.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.638 0.256 . . . . 0.0 110.624 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.22 126.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -92.21 -59.74 2.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.979 0.418 . . . . 0.0 110.908 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -141.23 139.18 33.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.272 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.472 ' HE1' HG13 ' B' ' 131' ' ' ILE . 84.1 t80 -114.13 105.52 13.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 13.0 t70 -133.79 136.24 26.22 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 42.7 Cg_exo -58.45 -16.01 27.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.672 2.248 . . . . 0.0 113.477 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -108.63 -6.73 15.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 44.5 tt0 -165.21 113.38 1.01 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 111.278 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.476 HG12 HD21 ' B' ' 129' ' ' LEU . 41.0 mm -103.88 125.32 58.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' B' ' 123' ' ' SER . 89.2 mt -102.14 107.18 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.055 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.444 ' HG ' HG22 ' B' ' 113' ' ' ILE . 96.1 mt -108.97 126.28 52.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 27.1 tt0 -87.25 104.65 16.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.2 t -94.5 -163.85 1.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.5 mt -52.44 93.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 61.68 21.24 12.0 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.058 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.65 160.76 28.61 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.107 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.07 125.34 73.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.199 0.5 . . . . 0.0 111.033 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' B' ' 152' ' ' TYR . 41.8 tp -95.99 126.19 41.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.778 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 42.2 t -101.44 106.24 17.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.82 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 57.6 mt -90.66 110.35 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' B' ' 149' ' ' ALA . 50.8 mtmt -105.44 125.55 51.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.669 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 176.07 -143.32 6.46 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.862 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.22 143.17 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 tttm 66.69 43.9 2.32 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.583 0.552 . . . . 0.0 110.647 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.476 HD21 HG12 ' B' ' 113' ' ' ILE . 9.7 mp -73.96 73.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.64 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.66 123.24 9.83 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.788 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.472 HG13 ' HE1' ' B' ' 108' ' ' PHE . 25.3 mm -97.42 -42.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 0.0 110.194 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 66.35 14.99 9.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.83 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . 0.59 ' HE2' HG23 ' B' ' 141' ' ' VAL . 6.3 p80 -164.63 126.46 2.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.378 173.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.28 -9.62 32.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.087 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.63 140.27 39.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.038 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 42.4 tp -96.06 92.63 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -55.0 -48.65 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.834 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -176.03 -60.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.595 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' B' ' 102' ' ' VAL . . . -172.9 46.15 0.17 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.666 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.526 ' HG2' HG21 ' B' ' 100' ' ' THR . 12.5 mt-30 -138.44 136.03 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.59 HG23 ' HE2' ' B' ' 133' ' ' HIS . 12.8 p -148.81 136.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.142 0.496 . . . . 0.0 111.083 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.51 113.98 21.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.273 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 19.3 m -109.49 151.93 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.44 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.79 139.3 46.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.97 -170.88 41.61 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 60.0 mt -95.57 79.97 3.42 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.669 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 29.1 pt -87.87 139.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.029 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.55 -33.47 9.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.904 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.507 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . . . -161.13 151.07 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 112.14 -177.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 71.9 mt -118.97 132.21 56.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.346 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.778 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 58.7 t -109.72 111.47 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.788 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.586 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -112.1 129.49 24.22 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.38 177.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -86.06 -171.69 0.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.769 2.313 . . . . 0.0 112.48 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 64.3 mt 67.7 13.98 9.38 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.735 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 135.73 48.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.305 0.574 . . . . 0.0 112.055 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -90.72 171.86 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.567 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -133.89 111.0 10.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.891 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -84.43 0.88 47.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 83.6 t60 63.98 89.0 0.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.966 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -168.02 142.81 3.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.852 178.099 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.857 0.361 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.94 125.63 5.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.501 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -106.82 -39.4 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.3 ptm180 -88.76 137.81 31.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.791 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.438 ' HG3' ' HG1' ' B' ' 100' ' ' THR . 34.2 tt0 -120.55 149.05 43.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.099 -169.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.69 128.18 44.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD13 HD13 ' B' ' 97' ' ' LEU . 34.4 tp -115.7 115.81 26.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -113.71 122.3 46.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -131.65 142.23 49.8 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.778 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.6 p -113.76 150.79 32.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.873 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.1 39.95 6.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.921 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 HG13 ' A' ' 70' ' ' VAL . 48.7 t -99.01 126.91 52.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.512 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -75.53 -51.44 12.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.91 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -172.93 170.95 4.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.101 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.47 117.13 46.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.214 0.531 . . . . 0.0 109.777 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -73.27 -59.2 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -125.74 117.5 23.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.561 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 50.5 t80 -107.11 106.25 16.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -130.34 139.78 36.66 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.92 -1.89 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.891 2.394 . . . . 0.0 113.748 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -131.97 1.95 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.26 -0.275 . . . . 0.0 111.507 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.14 102.67 1.12 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.147 0.498 . . . . 0.0 110.716 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.438 HG22 ' HG ' ' A' ' 44' ' ' LEU . 60.0 mt -107.22 117.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.996 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -101.35 99.51 9.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.077 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD12 HG11 ' A' ' 70' ' ' VAL . 94.2 mt -95.15 125.56 39.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.08 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -88.99 116.12 27.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.621 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -114.94 -172.59 2.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.177 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.5 mt -32.56 -58.95 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.3 1.04 . . . . 0.0 113.644 -169.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -139.29 24.76 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.496 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 177.93 34.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.563 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.86 126.93 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -96.37 119.84 35.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.638 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 10.8 m -95.87 103.98 15.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.035 0.445 . . . . 0.0 110.548 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.442 HG21 HD23 ' A' ' 58' ' ' LEU . 48.4 mt -101.23 117.01 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.708 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -128.21 153.38 46.99 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.296 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.47 -144.83 10.81 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.116 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 54.1 mm-40 -118.08 135.28 54.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.192 0.197 . . . . 0.0 110.943 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.29 45.88 10.82 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 HD23 HG21 ' A' ' 53' ' ' ILE . 9.7 mp -74.58 72.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.05 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.65 -168.49 36.8 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.402 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.7 mm 74.56 83.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 123.925 0.89 . . . . 0.0 110.608 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 20.0 pttp -100.75 77.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.792 0.806 . . . . 0.0 110.599 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.67 80.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.523 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.84 84.73 3.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' OD2' ' HG2' ' A' ' 66' ' ' LYS . 9.1 p-10 -107.84 -41.94 4.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt 58.01 75.38 0.38 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.708 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HG2' ' OD2' ' A' ' 64' ' ' ASP . 46.4 mmtm -66.17 -72.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.318 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.26 18.15 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.458 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.64 61.52 1.69 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.995 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -129.94 144.93 51.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 HG23 ' A' ' 31' ' ' VAL . 14.6 p -141.93 143.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.716 0.293 . . . . 0.0 110.416 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.51 106.04 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.007 0.432 . . . . 0.0 110.062 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.45 173.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -139.81 161.15 38.25 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.995 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.73 33.08 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.592 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 7.8 mt -95.61 76.4 3.28 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 pt -67.06 134.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.302 0.572 . . . . 0.0 111.034 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.37 -43.6 6.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.76 147.23 24.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.433 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.27 117.81 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.638 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 57.4 t -114.42 118.77 59.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 111.348 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -122.27 104.99 37.17 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.76 162.71 26.8 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.682 2.254 . . . . 0.0 112.866 -175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.97 -34.02 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 73.81 -42.39 0.51 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 164.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -79.58 25.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -166.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -133.34 89.07 2.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 169.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 7.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -163.85 88.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.778 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -83.29 -27.22 29.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.412 0.625 . . . . 0.0 109.399 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 117.58 -1.2 . . . . 0.0 108.185 177.581 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -79.66 76.6 6.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.964 0.888 . . . . 0.0 110.953 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.17 -34.77 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.143 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.92 137.11 41.47 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -107.89 151.19 26.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.965 0.412 . . . . 0.0 110.945 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -104.29 112.28 25.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.075 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.498 ' HB3' ' CG1' ' B' ' 143' ' ' VAL . 55.7 tp -108.83 120.56 42.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.82 0.343 . . . . 0.0 110.219 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 19.0 m -108.14 115.63 30.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.217 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 tp -112.47 125.66 54.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.83 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.438 ' HG1' ' HG3' ' A' ' 24' ' ' GLN . 61.7 p -99.6 113.68 26.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.727 0.299 . . . . 0.0 111.623 -175.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.83 49.01 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.131 -1.033 . . . . 0.0 112.868 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.472 HG12 HD21 ' B' ' 115' ' ' LEU . 48.7 t -103.3 121.94 55.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -93.36 -39.3 11.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -141.7 142.91 33.34 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.085 -174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.655 HG13 ' HB2' ' B' ' 135' ' ' ASP . 4.4 p -102.65 111.94 34.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 169.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -74.0 -32.98 63.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -152.56 129.39 10.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.091 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.672 ' HE1' HG12 ' B' ' 131' ' ' ILE . 88.2 t80 -110.75 103.33 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.169 0.509 . . . . 0.0 110.402 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 27.7 t70 -135.23 135.95 23.63 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.17 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 26.7 Cg_exo -63.44 -1.42 3.12 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.89 2.393 . . . . 0.0 113.983 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.556 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 44.8 mmtm -111.76 -19.68 12.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 111.471 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 24.9 tp10 -159.27 116.72 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.57 127.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.602 0.239 . . . . 0.0 110.491 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.1 mt -104.74 101.75 11.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.621 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.472 HD21 HG12 ' B' ' 102' ' ' VAL . 87.3 mt -94.73 124.73 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -89.26 105.85 18.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.7 t -123.47 -164.97 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 47.3 mt -53.32 98.11 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.186 0.594 . . . . 0.0 112.461 -174.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 56.84 26.79 12.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . 0.443 ' HA3' ' OH ' ' B' ' 152' ' ' TYR . . . -165.48 171.31 40.7 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.85 126.71 68.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.31 122.25 38.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.581 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 23.1 m -95.08 102.89 14.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.004 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.47 HG21 HD22 ' B' ' 129' ' ' LEU . 47.2 mt -93.28 112.28 26.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.09 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -105.42 136.86 44.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.596 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 165.47 -162.19 35.57 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.292 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.567 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 33.1 mt-10 -121.89 150.86 41.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.48 0.181 . . . . 0.0 110.849 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.567 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 11.6 mptt 63.68 29.54 14.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.47 HD22 HG21 ' B' ' 124' ' ' ILE . 6.2 mp -69.88 73.94 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.483 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -103.37 139.78 14.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.181 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.672 HG12 ' HE1' ' B' ' 108' ' ' PHE . 18.3 mm -88.05 32.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.798 0.809 . . . . 0.0 109.205 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? 70.05 -68.17 0.21 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.618 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -164.68 52.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' B' ' 137' ' ' LYS . 12.7 tp -174.61 177.21 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.655 ' HB2' HG13 ' B' ' 105' ' ' VAL . 25.6 p-10 -99.15 -52.71 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 112.02 17.48 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 166.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.525 ' HA ' HD23 ' B' ' 134' ' ' LEU . 13.2 tmtt? -53.87 -50.17 66.88 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.211 -168.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -165.99 42.92 0.07 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.09 -44.89 3.43 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -89.39 130.44 35.75 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.57 128.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.009 0.433 . . . . 0.0 111.305 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.09 106.99 17.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.087 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' B' ' 97' ' ' LEU . 7.1 p -102.53 132.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 110.214 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.52 125.67 52.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.359 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.36 174.42 39.05 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.484 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.446 HD11 ' HD3' ' B' ' 128' ' ' LYS . 5.3 mp -91.52 87.83 6.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.596 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 30.4 pt -79.98 131.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.363 0.602 . . . . 0.0 111.621 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.469 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 14.9 m-20 -83.89 -39.82 19.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.36 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -164.06 154.29 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.5 120.53 39.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 43.6 t -115.16 132.2 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.83 0.347 . . . . 0.0 111.041 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.443 ' OH ' ' HA3' ' B' ' 120' ' ' GLY . 6.7 t80 -129.01 116.88 19.04 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.78 112.08 1.16 Allowed 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.912 2.408 . . . . 0.0 112.428 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 tp -88.76 -38.87 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.357 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.51 86.26 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.03 -1.08 14.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.438 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -91.88 166.0 12.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -138.64 -177.99 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.304 -0.158 . . . . 0.0 110.71 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 107.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.414 0.446 . . . . 0.0 110.567 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -74.22 -25.52 59.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.111 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 40.1 t60 . . . . . 0 C--O 1.245 0.854 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.0 tpt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.065 0.46 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -95.96 62.22 2.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.677 0.751 . . . . 0.0 110.419 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -122.99 -28.77 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.726 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -72.21 117.45 13.86 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 120.834 0.349 . . . . 0.0 110.545 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.498 HE22 ' HB ' ' B' ' 117' ' ' THR . 88.9 mt-30 -105.87 163.93 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.657 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 49.1 t80 -121.42 126.93 50.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.922 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.75 125.46 52.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.906 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 33.0 t -118.47 110.55 17.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD22 HG21 ' A' ' 31' ' ' VAL . 34.3 tp -110.45 124.57 52.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.766 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 48.6 m -112.43 99.04 7.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 -176.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.17 22.34 0.22 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.463 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 HD22 ' A' ' 28' ' ' LEU . 45.3 t -79.26 135.03 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -90.43 -51.45 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.37 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -145.86 165.46 28.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 111.529 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 HG13 HD22 ' A' ' 44' ' ' LEU . 17.8 m -105.23 118.9 53.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.114 168.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -82.71 -41.44 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 110.712 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' HD12 ' A' ' 43' ' ' LEU . 26.7 t -150.22 154.05 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -134.02 104.09 6.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.877 0.37 . . . . 0.0 110.24 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.6 m-20 -122.05 146.68 47.08 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 28.0 Cg_exo -62.12 -12.02 24.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -125.37 8.11 7.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 36.8 tt0 -165.69 105.32 0.71 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.932 0.396 . . . . 0.0 111.324 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 HG12 HD23 ' A' ' 58' ' ' LEU . 50.4 mm -105.57 123.3 59.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 36' ' ' SER . 84.2 mt -101.97 102.7 13.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 0.0 110.727 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD22 HG13 ' A' ' 34' ' ' VAL . 85.5 mt -100.57 127.94 46.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.16 116.52 27.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -118.89 -162.58 0.91 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.696 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -41.81 92.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.012 0.925 . . . . 0.0 112.429 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 49.74 24.5 1.25 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.883 0.873 . . . . 0.0 112.244 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.9 -173.28 22.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.215 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 39.7 t -132.74 140.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 tp -110.9 123.53 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.416 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.89 107.55 19.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.26 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 53.0 mt -89.31 115.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HZ3' ' HB2' ' A' ' 41' ' ' GLU . 32.5 mmmt -111.3 140.91 45.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.549 ' HA2' ' OD2' ' A' ' 77' ' ' ASP . . . 163.26 -152.19 22.15 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -132.43 146.25 51.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.026 0.413 . . . . 0.0 109.997 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.06 49.69 7.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.407 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 HD23 HG12 ' A' ' 42' ' ' ILE . 10.1 mp -72.34 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.445 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.57 8.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.804 -0.634 . . . . 0.0 113.701 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.768 ' HB ' HG13 ' A' ' 72' ' ' VAL . 7.9 tt -133.03 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.978 0.894 . . . . 0.0 108.842 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -83.63 106.1 15.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.631 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 55.63 85.07 0.07 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.062 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.14 -54.23 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.2 -166.7 0.21 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.526 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.86 79.31 7.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.13 -73.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.004 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.68 89.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.148 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.22 -50.15 4.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.754 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.425 ' HG2' HG23 ' A' ' 29' ' ' THR . 50.7 mt-30 -81.72 119.89 24.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.35 . . . . 0.0 111.425 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.02 119.1 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -126.1 120.41 30.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.768 HG13 ' HB ' ' A' ' 60' ' ' ILE . 27.7 m -127.67 150.91 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.575 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.4 138.77 47.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -168.01 40.26 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.026 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.15 74.7 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 28.2 pt -76.95 122.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 0.0 110.868 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.549 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 48.4 m-20 -87.76 -40.98 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.384 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.7 152.27 26.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.359 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 84.2 mt -116.06 113.96 23.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.2 t -109.66 112.38 40.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 110.898 -175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.414 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 9.7 t80 -112.21 113.72 51.42 Favored Pre-proline 0 C--N 1.316 -0.853 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 57.3 Cg_exo -51.73 100.19 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 112.082 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 2.2 pt? -63.06 107.41 1.01 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.657 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -145.65 178.4 8.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -177.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.52 ' H ' ' CD ' ' A' ' 84' ' ' GLU . 21.8 p80 50.39 34.36 9.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.855 0.862 . . . . 0.0 112.062 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -121.43 166.46 14.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 179.12 -75.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -149.4 -60.12 0.21 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -160.93 -28.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m170 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 114.2 -1.363 . . . . 0.0 108.012 167.016 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.723 0.297 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -93.47 138.94 31.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.6 -34.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.703 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.1 132.61 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.387 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 29' ' ' THR . 14.2 tt0 -127.25 153.84 45.62 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.887 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.766 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 48.6 m-85 -101.67 115.78 31.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.729 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.8 tp -111.24 109.76 19.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.918 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.906 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 4.8 m -111.5 112.78 24.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 49.6 tp -106.67 127.82 53.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.657 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 20.9 m -114.41 109.83 18.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.091 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 29.08 0.68 Allowed Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.844 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.62 144.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.3 m -107.88 -39.76 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.06 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -168.31 165.14 13.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 p -105.5 137.3 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.791 0.329 . . . . 0.0 110.266 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.44 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 45.3 mt-30 -90.49 -56.0 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.57 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.487 ' HB2' HD12 ' B' ' 114' ' ' LEU . 23.4 m -136.59 137.09 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.426 ' CD2' HD12 ' B' ' 113' ' ' ILE . 37.3 t80 -127.02 106.12 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.186 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.42 148.57 70.2 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 -17.99 51.43 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.695 2.263 . . . . 0.0 113.065 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -103.21 -15.23 16.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 43.6 tt0 -157.31 118.5 3.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.164 0.506 . . . . 0.0 111.591 -174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.505 HG12 HD22 ' B' ' 129' ' ' LEU . 49.0 mm -109.13 123.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.599 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 107' ' ' SER . 94.9 mt -108.33 96.16 6.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.866 0.365 . . . . 0.0 110.445 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 93.7 mt -89.9 142.41 27.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.44 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.0 tm-20 -112.99 118.54 35.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.498 ' HB ' HE22 ' A' ' 24' ' ' GLN . 47.5 p -109.38 -174.34 2.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 20.1 pt -34.98 -43.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.063 0.945 . . . . 0.0 113.41 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -158.98 30.8 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.441 . . . . 0.0 110.228 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -148.93 172.22 29.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.743 -1.217 . . . . 0.0 113.133 -174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.408 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 31.8 t -125.72 139.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.164 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 66.2 tp -115.07 110.49 19.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.033 176.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -95.85 102.67 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.297 0.57 . . . . 0.0 110.241 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 41.3 mt -96.64 126.8 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.217 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -127.42 145.6 50.77 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 160.83 -142.42 8.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.578 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.67 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 45.2 mm-40 -123.92 136.51 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.626 0.251 . . . . 0.0 111.101 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.67 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 2.2 mptp? 54.03 51.4 14.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.74 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.505 HD22 HG12 ' B' ' 113' ' ' ILE . 7.1 mp -76.08 73.01 2.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.473 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.37 -121.44 0.61 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.01 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 3.5 mp 64.43 -73.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 123.326 0.65 . . . . 0.0 111.455 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -86.49 130.82 34.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.422 . . . . 0.0 111.328 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -171.07 164.86 7.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.027 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tt -148.9 -74.75 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -154.24 -175.15 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.539 HD11 ' O ' ' B' ' 136' ' ' LEU . 1.5 tm? -126.22 -26.26 3.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.639 0.199 . . . . 0.0 110.658 -177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.44 -30.8 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 111.578 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.2 70.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 92.23 -6.66 78.53 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.282 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.546 ' HB2' HG23 ' B' ' 100' ' ' THR . 50.2 tt0 -123.54 138.81 54.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.328 . . . . 0.0 110.636 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.43 136.32 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' B' ' 98' ' ' SER . 9.1 mp0 -106.38 118.55 36.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.08 146.05 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 110.463 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -119.92 139.58 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 174.68 -179.35 46.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.538 -1.315 . . . . 0.0 112.963 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.454 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 12.6 mt -95.02 89.09 5.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.27 118.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.527 0.68 . . . . 0.0 111.775 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.51 -43.46 12.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.76 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -156.08 164.25 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.905 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.414 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 96.1 mt -138.09 116.95 12.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.044 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' B' ' 153' ' ' PRO . 61.9 t -119.61 119.36 60.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.545 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.499 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 2.5 t80 -108.58 98.59 29.17 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' B' ' 151' ' ' VAL . 12.3 Cg_exo -71.4 119.28 6.15 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.891 2.394 . . . . 0.0 111.881 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 48.9 tp -138.62 -73.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 150.89 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.657 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -131.12 88.84 2.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -82.68 85.74 6.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.967 -173.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 45.8 t60 64.05 -88.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.15 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -155.97 179.31 9.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -87.11 158.73 19.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.811 177.497 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.648 ' HE2' ' HA2' ' B' ' 101' ' ' GLY . 89.8 mtp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.833 0.349 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.774 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 24.2 t70 -154.01 176.54 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -61.99 -25.75 67.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.774 ' HG2' ' HB3' ' A' ' 21' ' ' ASP . 15.6 ptp180 -69.53 108.26 3.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 109.63 174.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.526 HE21 ' HA3' ' B' ' 101' ' ' GLY . 51.8 mt-30 -109.35 172.97 6.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.609 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -105.97 112.92 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.005 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -109.94 119.0 37.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.741 0.305 . . . . 0.0 110.384 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.631 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 23.3 m -122.27 121.43 36.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.235 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -133.66 138.25 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.9 p -106.85 161.13 14.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.371 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.8 9.11 53.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.15 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.1 119.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -91.55 -30.53 16.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -165.15 148.73 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.983 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.82 123.36 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 mm100 -81.74 -55.99 4.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.921 -176.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -147.47 127.28 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -104.6 104.44 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 40' ' ' LYS . 9.0 m-20 -132.63 138.91 33.1 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.572 175.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 15.6 Cg_exo -69.2 9.25 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.863 2.375 . . . . 0.0 112.166 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.2 mmtt -118.43 -16.16 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 9.6 tp10 -175.38 114.19 0.14 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.84 -173.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.596 HG22 ' HG ' ' A' ' 44' ' ' LEU . 58.2 mt -114.1 122.31 67.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.062 0.458 . . . . 0.0 110.478 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 35' ' ' GLN . 97.3 mt -102.29 105.13 15.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.2 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.596 ' HG ' HG22 ' A' ' 42' ' ' ILE . 94.9 mt -112.2 118.04 34.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.712 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 38.8 tt0 -88.76 112.47 23.22 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.542 0.687 . . . . 0.0 110.238 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -92.72 -161.43 0.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.379 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.647 HG21 HD21 ' B' ' 93' ' ' ASN . 11.2 mm -50.97 90.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 57.83 27.46 14.57 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.384 0.674 . . . . 0.0 111.536 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.61 4.98 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.693 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.524 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -95.82 127.09 48.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.226 0.513 . . . . 0.0 110.626 -176.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.9 tp -96.59 122.27 39.33 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.505 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.5 t -101.44 113.36 26.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.9 mt -109.92 109.64 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.34 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HB3' ' HB1' ' A' ' 78' ' ' ALA . 2.2 tmmt? -105.1 139.55 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.882 0.372 . . . . 0.0 110.409 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 172.0 -151.74 15.6 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.89 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.08 150.99 41.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.475 0.179 . . . . 0.0 110.767 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.64 30.09 19.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.43 0.633 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . 11.5 tp -79.35 72.65 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.623 -1.172 . . . . 0.0 111.184 -175.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.98 128.99 9.7 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.79 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 15.6 tt -79.69 149.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.627 0.251 . . . . 0.0 110.722 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 73' ' ' GLU . 34.5 mtpt -103.03 -69.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -86.24 102.75 14.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.167 0.508 . . . . 0.0 109.691 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.23 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.158 -177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.55 120.87 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.912 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.3 -64.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.5 tttm 62.92 -76.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 O-C-N 124.09 0.869 . . . . 0.0 111.786 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.1 2.3 6.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.082 0.468 . . . . 0.0 110.526 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.9 40.77 4.54 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.141 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.33 116.26 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' SER . 8.6 p -108.26 136.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.498 -176.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.44 112.22 16.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.858 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.5 144.79 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.76 0.314 . . . . 0.0 111.145 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 61' ' ' LYS . 67.4 mt-10 -111.95 154.22 25.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 142.88 179.29 19.5 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.527 170.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 22' ' ' ASN . 61.2 mt -79.6 86.6 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.929 -0.396 . . . . 0.0 109.929 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.0 pt -77.01 121.05 28.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.269 0.556 . . . . 0.0 110.182 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.75 -44.66 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.859 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 54' ' ' LYS . . . -136.23 135.35 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.173 0.511 . . . . 0.0 111.857 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 4.5 mm? -115.96 119.11 34.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.776 173.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 57.8 t -125.96 126.45 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 6.2 t80 -125.54 102.04 29.94 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 73.2 Cg_endo -81.03 126.7 5.8 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.628 2.219 . . . . 0.0 111.646 174.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.63 114.68 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 69.15 145.9 0.05 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.095 0.872 . . . . 0.0 112.555 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -66.35 111.47 3.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 164.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -48.84 -72.21 0.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.584 0.553 . . . . 0.0 109.655 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 49.06 32.51 4.03 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.867 0.729 . . . . 0.0 112.455 165.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -83.29 -27.44 29.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -116.42 136.17 53.22 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.363 -0.827 . . . . 0.0 109.787 179.311 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.484 0.183 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.69 -172.4 0.15 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.634 0.731 . . . . 0.0 112.756 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.647 HD21 HG21 ' A' ' 47' ' ' ILE . 11.2 t-20 -166.35 -30.91 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.524 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -76.05 99.56 4.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.768 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -97.54 149.75 21.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.011 0.434 . . . . 0.0 111.383 -170.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.22 115.08 29.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.845 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -108.37 109.41 20.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.993 0.425 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.631 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 42.0 m -106.15 111.7 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.909 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.0 tp -118.45 126.54 52.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.418 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 28.2 m -108.19 113.32 26.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.648 ' HA2' ' HE2' ' A' ' 20' ' ' MET . . . 136.49 8.86 1.44 Allowed Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.105 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.55 129.59 36.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -89.77 -44.02 10.27 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.929 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -166.52 172.26 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.762 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 115' ' ' LEU . 29.0 m -104.58 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -93.89 -54.0 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.265 0.555 . . . . 0.0 109.657 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -138.34 121.86 17.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.266 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -110.68 104.57 13.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -133.68 140.26 36.17 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.484 ' O ' ' HA ' ' B' ' 127' ' ' GLU . 50.2 Cg_exo -55.15 -18.33 17.47 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 113.581 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 23.8 mmtp -91.98 -21.96 20.25 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 37.4 tt0 -166.37 112.77 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.139 0.495 . . . . 0.0 110.411 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.52 119.86 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.207 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.17 99.93 11.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.153 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.457 HD21 HG12 ' B' ' 105' ' ' VAL . 90.5 mt -93.83 124.54 37.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.855 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -88.45 107.94 19.13 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.0 t -119.15 145.26 46.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 46.4 mm 51.0 -85.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 123.509 0.505 . . . . 0.0 111.094 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -155.36 43.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . 0.592 ' HA3' ' HH ' ' B' ' 152' ' ' TYR . . . -151.48 -179.89 27.55 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.165 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.489 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 25.9 t -122.18 128.89 75.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 117.06 0.43 . . . . 0.0 111.207 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 63.6 tp -105.68 117.81 34.98 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 11.1 m -94.61 104.7 16.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 62.2 mt -91.92 109.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -103.35 143.79 32.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.174 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.588 ' O ' ' HA ' ' B' ' 111' ' ' LYS . . . 155.05 -143.31 9.79 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 110' ' ' PRO . 13.6 pt-20 -161.02 170.4 20.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm 63.26 26.93 15.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.048 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.3 73.96 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.07 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.97 119.24 5.88 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.655 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.677 HG12 HD21 ' B' ' 134' ' ' LEU . 7.6 tp -101.63 -26.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp 68.48 -64.38 0.31 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.103 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -129.18 120.96 26.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.677 HD21 HG12 ' B' ' 131' ' ' ILE . 60.1 mt -84.08 102.87 12.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -158.01 128.99 6.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.023 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 83.0 mt -90.54 100.38 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.37 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -78.32 91.04 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.107 0.479 . . . . 0.0 110.65 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.57 11.32 3.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.501 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 114.64 -7.57 22.25 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.324 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 35.5 tt0 -92.46 127.74 38.06 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.391 -0.476 . . . . 0.0 110.542 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 14.0 p -134.5 140.24 46.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -122.64 116.65 24.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.605 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.577 HG21 HD11 ' B' ' 131' ' ' ILE . 42.8 t -118.16 131.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.171 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -114.88 125.23 53.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.876 0.369 . . . . 0.0 110.403 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -177.53 -177.55 46.46 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.985 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.485 HD22 ' OD1' ' B' ' 93' ' ' ASN . 44.9 mt -85.74 90.37 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.37 115.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.449 0.642 . . . . 0.0 110.84 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.33 -48.87 18.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -157.8 148.38 20.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.727 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.457 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 94.8 mt -116.09 114.34 24.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.23 128.96 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.592 ' HH ' ' HA3' ' B' ' 120' ' ' GLY . 4.9 t80 -118.23 113.12 37.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.489 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 63.0 Cg_exo -52.35 127.97 25.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.038 2.492 . . . . 0.0 112.674 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.58 -171.14 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.776 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -76.91 -13.29 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -70.75 122.96 20.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -65.97 169.45 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.97 -173.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -48.25 -44.01 32.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.455 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -67.77 93.56 0.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -121.01 13.07 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.153 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.543 -0.741 . . . . 0.0 109.866 175.182 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 65.61 -90.0 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.793 0.683 . . . . 0.0 110.973 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HA ' HD13 ' B' ' 118' ' ' ILE . 5.1 m120 -151.08 -173.46 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 73.99 140.46 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.883 0.739 . . . . 0.0 111.507 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -124.02 143.36 50.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.1 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.49 112.95 25.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 172.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.401 HD11 HD13 ' B' ' 99' ' ' LEU . 59.5 tp -119.07 132.99 56.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 0.0 110.849 -175.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.4 ' HB2' ' OG ' ' B' ' 98' ' ' SER . 15.5 m -128.22 141.46 51.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.098 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 46' ' ' THR . 22.1 tp -136.33 152.21 50.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' B' ' 96' ' ' PHE . 7.7 m -125.38 149.5 48.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.59 0.233 . . . . 0.0 110.92 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.74 10.96 54.81 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.91 125.58 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.286 0.565 . . . . 0.0 111.314 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 t -83.7 -52.92 6.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.059 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 45' ' ' GLU . 22.5 pttm -168.09 172.74 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.219 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 HG12 HD22 ' A' ' 44' ' ' LEU . 29.8 m -95.9 135.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.098 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.8 mm100 -81.68 -57.4 3.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.444 0.64 . . . . 0.0 109.287 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.5 m -132.8 116.18 16.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.099 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -101.44 104.3 15.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -131.07 146.6 62.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.669 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.96 -17.36 43.98 Favored 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.86 2.373 . . . . 0.0 112.587 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 8.7 mtpm? -108.94 -6.14 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.1 tt0 -169.24 123.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.0 111.199 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.405 HD11 HG11 ' A' ' 72' ' ' VAL . 67.5 mt -119.74 114.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.343 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 52' ' ' SER . 97.2 mt -91.21 114.09 26.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.93 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.572 HD11 HG13 ' A' ' 70' ' ' VAL . 95.6 mt -102.91 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.684 -175.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 36.8 tt0 -90.48 100.76 13.54 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.483 HG21 HD21 ' A' ' 28' ' ' LEU . 9.9 t -124.84 147.09 48.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.938 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mm 43.27 -86.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.809 0.844 . . . . 0.0 113.148 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.665 HE21 ' HA ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -141.12 13.35 2.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.581 -178.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.76 156.9 26.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.704 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.4 t -105.92 124.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.308 . . . . 0.0 110.199 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 81' ' ' TYR . 44.1 tp -95.99 126.77 41.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.599 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 16.0 m -98.66 101.38 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.336 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 63.2 mt -91.12 110.54 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG2' ' OE1' ' A' ' 41' ' ' GLU . 63.5 mttm -105.34 146.32 29.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.62 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.26 -138.33 5.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.425 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -158.64 152.79 23.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 59.16 43.29 17.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.419 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.93 73.38 2.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.982 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.31 143.7 36.25 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.438 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.612 HG22 ' H ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -85.37 -48.35 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.486 -175.561 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.621 ' HD2' ' HG2' ' A' ' 73' ' ' GLU . 99.0 mttt 49.46 25.97 1.52 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.612 ' H ' HG22 ' A' ' 60' ' ' ILE . 20.6 t60 -149.03 153.7 38.25 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.38 75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.725 0.298 . . . . 0.0 110.864 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 45.88 -107.58 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.146 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.28 -31.26 5.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.0 tttp 70.81 -73.25 0.1 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.798 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.95 -60.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.7 0.286 . . . . 0.0 111.18 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.55 32.92 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.161 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -129.63 160.25 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.796 0.332 . . . . 0.0 110.64 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 44' ' ' LEU . 9.1 p -138.47 138.67 42.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -138.45 107.03 5.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG11 HD11 ' A' ' 42' ' ' ILE . 63.3 t -131.3 144.72 36.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.461 -174.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.621 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -128.62 169.86 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.89 -164.73 24.97 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.477 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.14 82.66 5.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.776 0.322 . . . . 0.0 110.394 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -76.89 131.58 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.187 0.517 . . . . 0.0 110.162 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -94.84 -43.77 8.06 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.989 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.602 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -157.3 158.23 35.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.002 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -127.01 138.61 53.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.599 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.1 t -134.66 127.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.026 0.441 . . . . 0.0 112.141 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CE2' HD11 ' A' ' 51' ' ' LEU . 2.9 m-85 -119.42 123.67 28.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.379 167.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.87 -54.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.629 2.219 . . . . 0.0 111.414 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER 57.08 69.35 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.317 178.165 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 69.99 146.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.874 0.845 . . . . 0.0 112.556 169.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -80.99 52.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.381 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -83.09 -1.19 52.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.579 0.704 . . . . 0.0 109.914 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.43 136.94 38.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.502 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -89.02 -22.34 23.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 109.878 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -86.32 135.54 33.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.964 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.311 175.085 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 64.6 mtm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.98 44.02 28.93 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.71 -175.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.85 -22.59 66.55 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.921 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.476 ' HG2' ' HA2' ' B' ' 145' ' ' GLY . 35.9 mtt180 -69.64 99.81 1.37 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.619 170.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' B' ' 144' ' ' GLU . 69.0 mt-30 -89.92 154.55 19.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.41 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 95.2 m-85 -96.61 112.74 24.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 48.1 tp -111.42 109.13 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 34.2 p -118.14 119.88 36.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.465 HD22 HD22 ' B' ' 122' ' ' LEU . 48.2 tp -125.03 148.53 48.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.956 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 21.9 p -98.87 -173.37 2.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' B' ' 117' ' ' THR . . . 69.35 13.79 68.18 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.346 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.467 HG22 HG12 ' B' ' 141' ' ' VAL . 42.6 t -72.7 111.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.21 0.528 . . . . 0.0 110.108 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -95.58 -33.96 12.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.93 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -168.53 162.41 12.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.018 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.57 118.73 53.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.997 0.427 . . . . 0.0 109.986 172.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.2 -41.44 63.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.5 t -150.94 127.16 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.75 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -115.37 105.14 12.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.221 0.534 . . . . 0.0 111.178 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' B' ' 111' ' ' LYS . 2.6 m-20 -126.56 150.45 70.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.576 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 28.8 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.158 2.572 . . . . 0.0 112.273 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 109' ' ' ASP . 18.6 ptpt -157.94 -34.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.605 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 13.1 tp10 -137.42 117.24 13.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.712 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.42 HD11 HD21 ' B' ' 129' ' ' LEU . 62.8 mt -123.81 121.77 63.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.846 0.355 . . . . 0.0 110.658 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 71.4 mt -101.01 100.61 11.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.205 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -95.43 122.16 37.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.41 122.74 33.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 49.3 p -121.74 -179.07 3.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.633 -171.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 22' ' ' ASN . 21.8 pt -33.15 -48.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.826 1.251 . . . . 0.0 114.209 -174.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.431 ' N ' HG13 ' B' ' 118' ' ' ILE . 29.7 tt0 -155.71 49.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.52 171.74 39.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.321 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -124.04 130.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.465 HD22 HD22 ' B' ' 99' ' ' LEU . 59.4 tp -97.2 123.74 41.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.59 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.857 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 47.4 t -98.59 104.46 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.731 176.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.544 ' HA ' HD13 ' B' ' 150' ' ' LEU . 38.3 mt -93.08 110.96 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.429 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 64.3 mttm -111.53 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.832 -177.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.54 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 176.1 -139.34 4.55 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -162.09 161.04 28.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 61.72 38.5 15.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.234 0.54 . . . . 0.0 110.228 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.42 HD21 HD11 ' B' ' 113' ' ' ILE . 8.1 mp -71.49 73.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.17 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.82 115.2 6.5 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.03 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 6.7 tp -92.06 121.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.409 . . . . 0.0 110.194 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -82.64 -23.96 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -145.26 127.73 16.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.34 -24.94 57.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.758 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -80.94 153.88 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.051 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.02 -54.47 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tptp 58.72 103.59 0.02 OUTLIER 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.26 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 67.34 -55.64 0.46 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.999 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 141.03 41.24 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.233 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.36 149.73 31.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.467 HG12 HG22 ' B' ' 102' ' ' VAL . 9.3 p -141.52 134.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.988 0.423 . . . . 0.0 111.227 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.66 114.71 27.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.387 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.84 149.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.497 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' B' ' 95' ' ' GLN . 2.7 pp20? -130.34 130.18 44.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.086 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . 0.476 ' HA2' ' HG2' ' B' ' 94' ' ' ARG . . . 173.15 -171.15 44.26 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.057 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 70.2 mt -86.88 97.96 10.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.7 pt -97.29 125.38 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.046 0.45 . . . . 0.0 111.191 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.54 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 13.3 m-20 -89.08 -51.97 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.352 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 81' ' ' TYR . . . -145.22 143.5 30.31 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.163 0.506 . . . . 0.0 111.771 -174.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' B' ' 124' ' ' ILE . 3.9 mm? -118.99 117.3 28.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.0 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.857 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.1 t -109.67 124.99 66.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.031 0.443 . . . . 0.0 111.531 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.602 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -122.89 131.48 24.36 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' B' ' 152' ' ' TYR . 6.1 Cg_endo -49.31 122.55 8.76 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.031 2.487 . . . . 0.0 112.616 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.98 -39.32 91.78 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -127.96 146.28 50.7 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -98.82 112.28 24.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 110.785 -172.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -66.03 145.47 55.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.879 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -55.75 113.43 1.47 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.925 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -89.12 -30.41 18.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -122.31 -43.5 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.293 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.996 -1.002 . . . . 0.0 108.998 177.302 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -83.52 101.95 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.871 0.843 . . . . 0.0 110.236 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -158.89 -37.08 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.19 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 10.6 ptm180 -65.62 141.27 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.179 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -120.18 148.74 43.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -173.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.5 112.84 24.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.635 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.1 tp -104.6 111.36 24.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.098 0.475 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.644 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 14.9 t -113.25 127.58 56.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.56 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD22 HD21 ' A' ' 51' ' ' LEU . 37.0 tp -141.08 152.52 44.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -120.67 153.32 37.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.41 23.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.958 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.56 120.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t -75.01 -45.26 43.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -163.91 161.12 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.698 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.35 118.85 47.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -74.36 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.121 0.486 . . . . 0.0 110.244 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 p -137.74 122.84 19.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.427 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -102.04 104.44 15.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 12.5 t70 -132.49 133.58 23.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.95 -9.5 10.02 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.009 2.473 . . . . 0.0 113.948 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -111.03 -16.26 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.324 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 30.6 tt0 -163.27 104.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.073 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.27 123.14 59.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.395 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -101.17 101.55 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.44 . . . . 0.0 110.265 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.89 113.23 25.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.32 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HG3' HG22 ' A' ' 50' ' ' VAL . 37.4 tt0 -76.44 102.3 5.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -100.24 172.35 7.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.371 -173.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' B' ' 93' ' ' ASN . 0.9 OUTLIER -56.08 109.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 70.1 -4.68 1.46 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.866 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.443 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -157.67 136.15 4.7 Favored Glycine 0 C--O 1.219 -0.804 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.935 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' HG3' ' A' ' 45' ' ' GLU . 49.0 t -88.59 126.9 41.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.929 0.365 . . . . 0.0 110.382 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD21 HD22 ' A' ' 28' ' ' LEU . 54.8 tp -93.2 119.45 32.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.259 0.552 . . . . 0.0 110.095 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.959 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -101.67 109.68 21.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.104 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HG21 HD21 ' A' ' 58' ' ' LEU . 34.3 mt -102.2 111.29 31.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.15 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -109.77 138.57 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.09 -138.67 4.78 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.958 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 tt0 -151.18 140.79 21.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.545 ' HE2' ' HG2' ' A' ' 56' ' ' GLU . 1.5 mppt? 65.96 31.69 8.99 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.822 0.449 . . . . 0.0 111.713 -178.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 53' ' ' ILE . 7.7 mp -72.22 75.26 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.744 0.418 . . . . 0.0 111.837 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.9 169.87 14.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.566 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.751 HG23 ' H ' ' A' ' 61' ' ' LYS . 1.4 tt -148.75 -75.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.661 0.267 . . . . 0.0 110.725 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.751 ' H ' HG23 ' A' ' 60' ' ' ILE . 62.8 tttm -178.85 135.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.97 98.66 9.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.981 0.42 . . . . 0.0 111.232 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -147.35 -80.56 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -173.53 -179.78 1.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.74 0.75 55.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.459 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? 67.61 -85.21 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.63 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.14 16.92 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.593 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 4.23 52.18 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.162 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -108.48 121.16 44.38 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.97 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -125.67 105.26 8.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.29 137.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.1 148.03 36.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.75 175.46 37.59 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.01 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 23' ' ' ARG . 4.7 mp -95.76 90.49 5.68 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.5 pt -69.79 139.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.303 -171.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.22 -41.4 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HB1' HD12 ' B' ' 154' ' ' LEU . . . -164.68 153.7 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.47 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD11 HD22 ' B' ' 122' ' ' LEU . 74.2 mt -116.34 128.29 55.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.959 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 71.4 t -117.34 116.23 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.01 0.433 . . . . 0.0 110.929 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.03 109.57 19.99 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 175.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.53 110.07 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.935 2.423 . . . . 0.0 112.334 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.836 ' HB3' ' HB3' ' B' ' 149' ' ' ALA . 0.4 OUTLIER -81.48 91.62 6.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.739 -178.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -141.22 88.62 2.17 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.763 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -139.72 97.42 3.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.8 t60 66.81 88.27 0.11 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.691 0.619 . . . . 0.0 110.304 -172.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -83.34 117.59 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.432 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.0 t60 178.42 -17.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.782 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 68.92 7.25 6.08 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.823 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.309 177.608 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.3 114.62 11.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.865 0.364 . . . . 0.0 110.517 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.537 ' HA ' HD13 ' A' ' 47' ' ' ILE . 37.2 m-80 -102.86 12.76 35.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.403 -177.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 36.8 mtp-105 -80.16 107.28 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -101.59 142.59 32.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.35 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 83.9 m-85 -97.76 116.45 29.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.8 tp -112.45 112.76 24.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 32.4 t -112.7 135.07 53.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.761 176.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 tp -142.77 149.67 39.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.949 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.464 HG22 ' HB3' ' B' ' 140' ' ' GLN . 49.8 p -116.94 170.64 8.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.662 0.267 . . . . 0.0 110.543 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.33 16.74 73.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.839 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.553 HG21 HG11 ' B' ' 141' ' ' VAL . 38.4 t -74.51 115.7 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.274 0.559 . . . . 0.0 110.455 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -83.06 -38.18 22.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.182 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 9.5 ttmm -165.92 161.86 17.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.464 ' N ' ' HG2' ' B' ' 104' ' ' LYS . 7.5 m -104.3 104.83 17.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.418 ' HB2' ' HB2' ' B' ' 114' ' ' LEU . 77.7 mt-30 -74.77 -49.85 19.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.31 -171.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -123.68 129.38 51.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -121.15 102.84 8.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.481 0.658 . . . . 0.0 110.524 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -133.86 142.57 44.05 Favored Pre-proline 0 C--N 1.316 -0.889 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.94 -23.67 9.32 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.562 2.175 . . . . 0.0 113.458 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.34 0.73 12.29 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -157.67 121.27 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.39 128.81 48.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.095 0.474 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.551 HD22 ' HA ' ' B' ' 123' ' ' SER . 88.8 mt -101.67 107.44 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.316 176.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.0 110.99 22.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.661 0.267 . . . . 0.0 110.485 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.36 114.04 13.44 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.1 t -122.14 -176.72 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.767 0.318 . . . . 0.0 110.305 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.72 117.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.98 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 71.32 7.54 6.11 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.037 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.68 -174.1 38.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.756 -1.211 . . . . 0.0 113.253 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 138.28 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.621 HD21 ' HD2' ' B' ' 152' ' ' TYR . 0.1 OUTLIER -96.06 105.45 17.49 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.925 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 33.4 t -86.84 101.54 13.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.468 HG22 HD22 ' B' ' 129' ' ' LEU . 32.4 mt -97.91 114.43 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -113.69 134.86 54.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 174.24 -137.59 4.05 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -151.39 149.42 29.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.029 0.414 . . . . 0.0 110.597 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 63.62 41.8 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.731 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.468 HD22 HG22 ' B' ' 124' ' ' ILE . 11.0 mp -76.42 72.74 3.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.763 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.3 122.51 11.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.366 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.73 ' HA ' HG11 ' B' ' 143' ' ' VAL . 42.0 pt -88.78 27.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.736 0.303 . . . . 0.0 111.411 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 67.33 -85.72 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.851 -174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -150.74 -74.99 0.15 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.257 0.223 . . . . 0.0 110.56 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tt -176.16 123.1 0.18 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -142.32 -91.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.017 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 136' ' ' LEU . 27.5 tp 61.77 21.61 12.35 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.8 0.44 . . . . 0.0 111.241 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -63.51 -51.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.27 11.19 39.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.459 . . . . 0.0 110.976 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.54 36.69 53.96 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.68 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.464 ' HB3' HG22 ' B' ' 100' ' ' THR . 20.5 pt20 -138.1 149.37 45.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.553 HG11 HG21 ' B' ' 102' ' ' VAL . 14.4 p -132.0 147.06 32.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.402 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -131.85 106.73 8.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.73 HG11 ' HA ' ' B' ' 131' ' ' ILE . 32.7 m -111.85 158.62 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.81 -175.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.13 127.26 26.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.237 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.68 -167.59 39.11 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.72 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.66 99.02 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.2 pt -93.6 150.89 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.138 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.87 -45.09 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.928 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . . . -140.83 145.47 36.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.965 0.412 . . . . 0.0 111.708 -176.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 98.6 mt -122.42 116.05 23.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.925 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.9 t -109.09 121.86 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.743 0.306 . . . . 0.0 110.848 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.621 ' HD2' HD21 ' B' ' 122' ' ' LEU . 30.7 t80 -123.37 120.14 27.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' B' ' 152' ' ' TYR . 12.2 Cg_endo -56.62 107.87 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.77 2.314 . . . . 0.0 111.781 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' B' ' 156' ' ' HIS . 55.0 tp -68.13 -42.65 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.717 -174.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' B' ' 156' ' ' HIS . 38.6 tt0 71.63 -25.96 0.17 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.261 0.624 . . . . 0.0 111.703 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' B' ' 154' ' ' LEU . 11.9 m170 75.48 -62.63 0.44 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.728 0.811 . . . . 0.0 111.67 176.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -157.47 156.82 32.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.357 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 159' ' ' HIS . 6.7 t-160 -82.05 53.94 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.015 -170.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' B' ' 158' ' ' HIS . 38.9 t60 174.16 89.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -128.89 101.1 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.904 0.383 . . . . 0.0 111.798 -172.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.569 170.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 mtm . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -161.37 89.72 0.78 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.526 ' HB3' HD13 ' A' ' 75' ' ' LEU . 27.8 t-20 -175.64 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.844 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 53.0 mtt180 -56.77 106.84 0.34 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.21 168.85 9.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 32.0 t80 -123.2 122.02 37.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.088 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD13 HD13 ' B' ' 97' ' ' LEU . 55.6 tp -123.82 126.14 45.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 28.9 t -121.33 117.67 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD21 HG21 ' A' ' 46' ' ' THR . 33.0 tp -112.85 125.9 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.222 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.462 HG22 ' HB3' ' A' ' 69' ' ' GLN . 21.1 m -109.65 113.13 25.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.72 34.85 0.16 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.905 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 HG11 ' A' ' 70' ' ' VAL . 45.3 t -99.39 125.11 53.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -100.16 -13.01 19.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -178.56 152.51 0.65 Allowed 'General case' 0 C--O 1.224 -0.265 0 O-C-N 123.127 0.267 . . . . 0.0 110.505 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.97 133.69 48.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -91.01 -60.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 m -134.1 133.99 41.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.878 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -114.26 105.2 12.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.926 0.393 . . . . 0.0 110.432 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -126.47 135.52 27.35 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.14 -18.75 18.55 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.079 2.519 . . . . 0.0 113.874 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.0 mttp -111.37 -5.3 14.65 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.7 tt0 -168.05 109.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 110.979 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.64 132.42 53.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.6 mt -102.74 106.39 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.027 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.11 124.48 47.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -88.41 100.65 13.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.497 HG21 HD21 ' A' ' 28' ' ' LEU . 34.4 p -99.89 -172.75 2.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.0 mt -53.01 96.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.602 0.564 . . . . 0.0 111.674 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 53.41 41.05 32.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.636 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.21 147.69 10.96 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.614 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -109.94 121.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.212 0.506 . . . . 0.0 111.013 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 81' ' ' TYR . 49.6 tp -96.83 122.03 39.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.456 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -98.91 107.83 20.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.606 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 37.3 mt -101.57 113.18 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.369 -178.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 8.3 mtpm? -101.28 148.55 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.639 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.91 -165.87 39.17 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 25.3 mt-10 -121.82 134.21 54.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.146 0.473 . . . . 0.0 109.751 172.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp 54.93 66.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.939 0.775 . . . . 0.0 111.174 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -80.19 72.51 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.075 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.5 114.48 6.84 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.665 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.608 HG23 HG11 ' A' ' 72' ' ' VAL . 40.4 pt -84.42 -18.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.0 111.592 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 67.27 -57.47 0.43 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -128.38 141.96 51.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -91.86 -83.93 0.28 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.26 -151.87 0.31 Allowed 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.858 0.723 . . . . 0.0 111.32 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -168.65 -76.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 54.22 -95.62 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.805 0.691 . . . . 0.0 112.194 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.75 -14.03 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.12 0.486 . . . . 0.0 110.939 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.2 26.93 10.55 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.381 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HB3' HG22 ' A' ' 29' ' ' THR . 6.5 pt20 -104.93 128.86 53.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.228 0.537 . . . . 0.0 110.521 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG11 HG23 ' A' ' 31' ' ' VAL . 14.3 p -127.51 143.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.537 177.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HB2' ' HE1' ' A' ' 25' ' ' PHE . 17.7 pt-20 -122.21 140.81 52.15 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.608 HG11 HG23 ' A' ' 60' ' ' ILE . 19.3 m -134.2 136.11 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.483 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.75 133.22 44.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.986 0.422 . . . . 0.0 109.982 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 166.59 -164.28 37.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.849 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 3.0 mm? -88.8 71.05 8.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.639 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 12.7 pt -67.38 143.19 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.647 0.737 . . . . 0.0 112.454 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.728 ' HB3' HD22 ' B' ' 154' ' ' LEU . 67.8 m-20 -92.85 -59.48 2.04 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.658 177.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' B' ' 154' ' ' LEU . . . -161.68 155.44 21.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.807 -171.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 4.1 mm? -115.46 118.3 32.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.59 176.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.42 121.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -174.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 51' ' ' LEU . 31.7 m-85 -102.91 161.5 22.97 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 164.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 87' ' ' HIS . 26.2 Cg_exo -61.43 92.57 0.11 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 121.751 1.634 . . . . 0.0 111.578 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.27 103.62 0.41 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.155 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.44 37.67 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.462 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 73.09 -6.66 1.66 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.76 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -78.94 73.49 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.736 0.303 . . . . 0.0 110.846 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 82' ' ' PRO . 11.8 t-80 -176.21 -28.51 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.725 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -126.67 120.09 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.703 -0.399 . . . . 0.0 112.003 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.9 t60 59.51 73.36 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.196 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.513 172.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.648 -0.13 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' HG3' ' B' ' 94' ' ' ARG . 3.0 t70 69.08 -176.21 0.2 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.041 0.838 . . . . 0.0 110.64 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.614 HD21 ' N ' ' B' ' 93' ' ' ASN . 0.0 OUTLIER -172.75 25.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.439 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.445 ' HG3' ' OD1' ' B' ' 92' ' ' ASP . 21.5 mtp180 -84.53 136.14 33.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 110.436 176.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -119.81 146.41 45.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.28 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.407 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 26.3 m-85 -107.5 125.87 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 26' ' ' LEU . 36.2 tp -117.01 114.68 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.093 0.473 . . . . 0.0 110.612 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 12.9 m -114.45 111.03 20.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.586 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 49.8 tp -112.7 127.18 56.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.218 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.683 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 87.6 m -117.66 126.06 51.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.516 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.46 17.81 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.899 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.53 131.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -89.02 -36.47 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -163.56 165.77 23.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 m -104.16 132.3 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 172.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -85.7 -50.77 6.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 53.5 m -152.53 135.52 15.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.185 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -132.85 103.58 6.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.454 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.66 159.61 70.76 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 168.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' B' ' 129' ' ' LEU . 14.5 Cg_exo -70.44 12.47 0.39 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.906 2.404 . . . . 0.0 114.525 -174.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -122.26 -23.19 5.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.731 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -155.95 122.64 5.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.862 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' B' ' 129' ' ' LEU . 59.9 mt -119.72 123.25 70.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.496 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.94 102.65 11.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.11 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -98.38 129.11 45.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.408 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.81 103.13 14.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 28.7 p -90.14 -172.05 3.34 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.904 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.27 103.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 65.2 24.14 12.3 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.019 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.43 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.052 -1.071 . . . . 0.0 112.822 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.21 123.29 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.506 HD13 HD13 ' B' ' 150' ' ' LEU . 50.3 tp -99.85 122.81 43.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 110.514 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.822 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 36.0 t -98.89 117.71 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.128 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.81 110.83 30.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.892 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -104.08 130.41 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.938 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 173.39 -159.28 29.23 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.338 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.64 ' HG2' ' HG3' ' B' ' 128' ' ' LYS . 20.4 tt0 -130.04 144.41 51.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.64 ' HG3' ' HG2' ' B' ' 127' ' ' GLU . 62.0 mttp 67.18 30.41 7.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.905 0.482 . . . . 0.0 110.742 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 110' ' ' PRO . 7.0 mp -75.39 73.21 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.579 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -138.24 176.65 20.62 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.518 -0.848 . . . . 0.0 111.963 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.716 HG21 ' H ' ' B' ' 132' ' ' LYS . 4.4 tp -172.04 -71.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.716 ' H ' HG21 ' B' ' 131' ' ' ILE . 3.9 ttmp? -116.0 -37.68 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.098 -0.376 . . . . 0.0 111.784 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' B' ' 132' ' ' LYS . 36.8 m80 73.33 13.1 4.69 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.214 0.531 . . . . 0.0 110.214 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 36.9 tp -155.56 40.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 136' ' ' LEU . 7.6 m-20 -79.07 -165.57 0.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.524 -173.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 135' ' ' ASP . 13.6 mt 66.28 32.19 7.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 -172.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -52.24 -41.41 62.75 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.658 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -157.02 70.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.84 46.07 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.651 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' B' ' 100' ' ' THR . 27.5 mt-30 -122.39 138.96 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.726 -0.279 . . . . 0.0 110.549 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.44 111.98 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.968 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -109.75 105.14 14.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.95 146.88 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.912 0.387 . . . . 0.0 110.515 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -123.96 147.82 47.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.045 0.45 . . . . 0.0 110.294 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.34 -161.52 34.58 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.655 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.461 HD13 ' HD2' ' B' ' 128' ' ' LYS . 5.4 mp -118.81 91.45 3.56 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.296 0.569 . . . . 0.0 109.716 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.528 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 26.8 pt -81.84 151.68 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.559 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.417 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 22.1 m-20 -110.41 -42.7 4.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.245 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.1 154.74 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.225 0.536 . . . . 0.0 111.815 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.506 HD13 HD13 ' B' ' 122' ' ' LEU . 4.1 mm? -115.81 130.78 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.105 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.822 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 45.2 t -120.37 112.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.1 t80 -131.61 104.01 14.62 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.63 110.38 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.84 2.36 . . . . 0.0 111.693 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 77' ' ' ASP . 30.7 tp -85.29 -52.87 5.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 156' ' ' HIS . 41.8 tt0 -115.94 132.23 56.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.538 -173.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' B' ' 155' ' ' GLU . 23.3 p80 -68.56 -179.99 1.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.08 171.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -59.91 126.64 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.354 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -101.65 142.0 33.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.463 -176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -87.66 61.38 6.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.891 0.377 . . . . 0.0 110.888 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 67.34 -172.13 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.595 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 41.6 m80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.818 -0.61 . . . . 0.0 109.857 -175.094 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.467 0.175 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -80.87 89.43 5.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 110.432 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' ' 75' ' ' LEU . 21.7 t-20 -155.3 -115.3 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 33.9 mtp180 48.83 71.42 0.37 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.716 0.77 . . . . 0.0 110.864 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.711 HE22 ' HA3' ' B' ' 101' ' ' GLY . 9.9 mm100 -95.73 157.71 15.77 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.963 -174.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -110.44 111.4 22.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -100.48 106.4 17.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.766 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 14.8 m -113.64 110.45 20.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.935 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.16 126.28 51.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.451 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -103.86 113.08 26.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.024 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' HG2' ' B' ' 95' ' ' GLN . . . 137.01 33.68 0.22 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.793 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG11 HD23 ' A' ' 44' ' ' LEU . 48.9 t -104.94 130.38 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 t -102.79 -29.8 11.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.575 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -159.44 159.15 33.27 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.822 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.77 120.45 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.79 -57.28 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.62 0.248 . . . . 0.0 110.549 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 m -126.83 128.97 47.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -116.28 106.07 13.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.024 0.44 . . . . 0.0 110.735 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -132.68 141.5 41.35 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 -16.06 33.39 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.156 1.904 . . . . 0.0 112.767 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -114.11 -7.36 13.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -161.88 149.9 14.88 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.47 0.652 . . . . 0.0 111.855 169.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.493 HG12 HD21 ' A' ' 58' ' ' LEU . 32.0 mm -133.25 131.61 58.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.057 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 52' ' ' SER . 37.6 mt -104.64 101.82 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 96.9 mt -91.74 128.52 37.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.279 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.24 104.39 16.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.776 ' HB ' HE22 ' B' ' 95' ' ' GLN . 35.8 p -95.52 -171.11 2.3 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.828 -175.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.2 96.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.277 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 67.63 20.89 9.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.888 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.3 20.31 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 16.6 t -136.49 153.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 44.7 tp -130.84 119.68 22.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.673 0.273 . . . . 0.0 110.424 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.739 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 2.5 m -99.71 122.72 43.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 mm -114.18 118.91 59.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.185 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 34.3 mtmt -100.87 146.28 27.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 -150.8 21.91 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.383 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 75' ' ' LEU . 7.9 pt-20 -149.79 148.07 28.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' HD3' HD12 ' A' ' 75' ' ' LEU . 5.8 mptt 60.53 44.29 11.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.493 HD21 HG12 ' A' ' 42' ' ' ILE . 8.6 mp -74.59 72.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.19 104.4 2.88 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.685 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.784 HG22 HG22 ' A' ' 72' ' ' VAL . 42.5 pt -69.76 152.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 110.518 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -95.58 -55.7 2.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.721 0.296 . . . . 0.0 111.089 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.25 101.71 14.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.081 0.467 . . . . 0.0 111.527 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.9 tp -83.54 -28.45 28.6 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -95.7 114.43 26.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.61 95.08 6.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 110.858 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -81.16 -13.53 58.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.244 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.46 -112.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.795 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.41 21.79 2.05 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -99.87 129.62 45.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.417 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -127.51 118.37 49.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.443 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -106.36 118.63 37.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.859 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 60' ' ' ILE . 23.6 t -117.67 126.49 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.846 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -116.85 157.97 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.144 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 141.74 -163.25 26.94 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 ' HD3' ' A' ' 57' ' ' LYS . 5.4 mp -95.62 83.92 3.85 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.2 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 pt -77.95 138.5 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.456 0.646 . . . . 0.0 110.633 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -94.4 -64.81 1.03 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.904 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -143.44 153.76 42.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.006 0.431 . . . . 0.0 111.0 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 HD21 HD12 ' A' ' 53' ' ' ILE . 53.6 mt -118.55 118.36 31.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.37 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.739 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.6 t -112.49 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.176 0.513 . . . . 0.0 110.948 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' B' ' 150' ' ' LEU . 1.3 t80 -109.17 119.17 49.35 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 84.6 Cg_exo -46.58 104.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.066 2.511 . . . . 0.0 112.897 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -80.74 21.15 0.69 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.786 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 82' ' ' PRO . 32.7 mt-10 -84.33 21.65 1.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.937 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.69 -38.48 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -127.17 139.81 52.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -73.39 135.05 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.941 0.4 . . . . 0.0 110.96 -175.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.45 147.44 52.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 55.6 t60 -64.51 -54.45 32.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 174.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 6.8 t60 . . . . . 0 C--O 1.245 0.832 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.724 171.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.38 65.38 1.44 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.581 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -123.49 -27.25 4.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.852 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.447 ' HA ' HD21 ' B' ' 146' ' ' LEU . 44.8 mtt180 -66.65 127.35 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.776 HE22 ' HB ' ' A' ' 46' ' ' THR . 65.8 mt-30 -105.59 139.38 40.28 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.735 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.426 ' CD1' ' HB3' ' B' ' 144' ' ' GLU . 9.3 m-85 -106.82 118.05 35.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.277 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.0 tp -112.48 123.68 50.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.766 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 7.4 t -113.63 116.47 29.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.564 HD22 ' HG ' ' B' ' 122' ' ' LEU . 19.3 tp -120.28 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -108.19 167.04 10.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.711 ' HA3' HE22 ' A' ' 24' ' ' GLN . . . 76.35 18.68 79.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.228 173.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 30.4 t -79.95 107.81 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.972 0.415 . . . . 0.0 109.888 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.0 t -98.01 -26.34 14.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 86.7 tttt -149.48 138.27 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.066 0.46 . . . . 0.0 111.343 -176.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.46 HG12 HD13 ' B' ' 136' ' ' LEU . 8.2 m -99.17 108.44 22.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.213 0.53 . . . . 0.0 109.986 173.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.7 -29.96 36.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.197 0.522 . . . . 0.0 110.36 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t -166.31 135.88 3.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.889 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -127.91 104.53 7.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' B' ' 112' ' ' GLU . 2.1 m-20 -132.26 149.25 72.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.91 0.98 3.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.955 2.436 . . . . 0.0 112.909 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -125.42 -27.0 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.785 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 34.5 tt0 -156.66 114.67 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.93 0.395 . . . . 0.0 110.393 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.48 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 60.7 mt -107.93 137.09 41.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.33 100.4 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.943 0.401 . . . . 0.0 110.122 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.518 HD13 HG11 ' B' ' 141' ' ' VAL . 82.9 mt -105.08 121.62 44.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.407 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 29.5 tt0 -88.22 116.27 26.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.169 0.509 . . . . 0.0 109.674 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 47.0 p -105.09 -178.5 3.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.491 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 69.8 mt -31.83 -61.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.447 1.092 . . . . 0.0 113.416 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.88 40.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.155 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.62 167.11 40.1 Favored Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.7 136.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.279 0.539 . . . . 0.0 111.004 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.564 ' HG ' HD22 ' B' ' 99' ' ' LEU . 4.2 mm? -95.27 111.61 23.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.146 177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.642 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 25.9 t -96.42 100.29 11.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 54.9 mt -95.59 111.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.954 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -100.91 143.04 31.54 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' B' ' 148' ' ' ASP . . . 164.13 -158.99 31.76 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.495 -1.335 . . . . 0.0 113.759 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -134.03 137.49 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.488 . . . . 0.0 110.746 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.701 ' HB2' ' HZ2' ' B' ' 128' ' ' LYS . 3.7 ttmp? 65.34 39.5 5.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.523 0.678 . . . . 0.0 110.954 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.456 HD21 HG23 ' B' ' 124' ' ' ILE . 8.7 mp -75.95 73.84 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.75 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . 0.458 ' O ' ' HB ' ' B' ' 131' ' ' ILE . . . -98.55 169.22 23.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' B' ' 130' ' ' GLY . 53.8 mt 78.28 111.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.893 0.854 . . . . 0.0 111.468 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -101.09 154.75 18.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.083 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -82.84 44.52 0.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.23 -84.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.286 0.634 . . . . 0.0 110.923 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -149.69 163.27 38.39 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.46 HD13 HG12 ' B' ' 105' ' ' VAL . 82.0 mt -78.3 75.33 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 110.75 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.591 ' HB2' ' HZ2' ' B' ' 137' ' ' LYS . 0.0 OUTLIER -79.38 -3.38 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.889 179.193 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -155.06 -88.79 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.962 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -171.18 16.23 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.998 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -105.01 119.69 39.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.067 0.433 . . . . 0.0 110.544 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.518 HG11 HD13 ' B' ' 115' ' ' LEU . 9.9 p -111.18 148.67 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -147.65 106.31 3.81 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.26 148.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.286 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' B' ' 96' ' ' PHE . 16.3 mt-10 -121.13 125.58 47.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -176.45 -173.31 41.96 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.558 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' B' ' 94' ' ' ARG . 38.4 mt -97.1 87.68 4.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.432 HD13 ' OE1' ' B' ' 95' ' ' GLN . 19.1 pt -73.51 124.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.672 0.748 . . . . 0.0 111.354 -177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.409 ' HB2' ' HA2' ' B' ' 126' ' ' GLY . 18.8 t70 -83.4 -41.45 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.887 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -160.29 164.34 32.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.117 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . 94.1 mt -138.05 115.45 11.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.642 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 55.5 t -112.52 112.52 40.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.409 ' HA ' ' HD3' ' B' ' 153' ' ' PRO . 6.8 t80 -125.42 98.26 35.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 152' ' ' TYR . 3.7 Cg_endo -86.2 101.79 0.64 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.206 2.604 . . . . 0.0 113.473 -173.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.425 HD13 ' HE2' ' B' ' 158' ' ' HIS . 29.0 tp -138.09 152.45 48.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 170.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -169.87 167.96 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -75.56 1.34 14.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 111.453 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -153.07 139.83 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . 0.425 ' HE2' HD13 ' B' ' 154' ' ' LEU . 54.4 m80 -115.8 168.42 10.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.229 0.538 . . . . 0.0 112.179 -174.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -151.55 178.13 9.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.946 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -80.39 -172.51 3.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.891 0.377 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 47.6 m80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.843 -179.356 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 16.6 m-20 -94.55 -155.01 0.44 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 14.9 m120 75.74 -12.34 1.0 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.764 0.826 . . . . 0.0 110.997 -176.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -80.25 113.92 18.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.487 HE22 ' HB ' ' B' ' 117' ' ' THR . 98.9 mt-30 -119.49 152.99 36.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 47.4 m-85 -98.43 113.77 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.349 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD11 HD11 ' B' ' 99' ' ' LEU . 57.4 tp -111.04 129.53 55.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.581 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 29.1 m -130.52 124.36 31.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.05 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -127.24 137.36 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.055 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -107.05 166.4 10.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.805 0.336 . . . . 0.0 110.684 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.38 0.71 79.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.499 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.38 116.56 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.828 0.347 . . . . 0.0 110.4 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 m -92.47 -30.04 15.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -163.5 143.38 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.44 114.01 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.187 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -72.22 -43.62 64.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -148.47 133.95 18.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -124.59 104.84 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.55 143.05 47.14 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.316 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -14.56 4.86 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 123.2 2.6 . . . . 0.0 114.534 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 80.2 mttt -125.06 -0.76 7.8 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -160.79 131.9 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.226 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.5 mt -136.18 127.33 43.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 -176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.47 100.75 10.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.25 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD13 HG11 ' A' ' 70' ' ' VAL . 78.7 mt -94.9 128.52 41.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.376 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.15 110.1 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -125.21 149.17 48.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.242 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mt 44.3 -91.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.517 0.727 . . . . 0.0 112.626 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -141.46 20.42 2.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.838 0.351 . . . . 0.0 110.499 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 169.53 23.68 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.952 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.584 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 19.6 t -115.53 148.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.3 tp -125.1 118.57 26.43 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -98.63 119.36 37.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.951 0.405 . . . . 0.0 110.223 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 16.1 mm -102.12 110.13 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.953 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -108.38 138.01 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 111.241 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.68 -141.8 7.38 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 8.8 pt-20 -150.86 149.12 29.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 175.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 61.4 mttm 64.0 38.83 8.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.081 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD21 HG22 ' A' ' 53' ' ' ILE . 7.4 mp -74.26 71.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.916 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.62 ' O ' HG12 ' A' ' 60' ' ' ILE . . . -112.09 113.89 3.41 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.978 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' ' 59' ' ' GLY . 10.5 mm -162.54 103.97 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 162.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -83.98 100.85 11.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.33 0.586 . . . . 0.0 109.711 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -74.5 -1.03 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.35 -175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.0 mt 69.77 -84.57 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.925 0.765 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -120.14 163.0 18.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.7 tp -81.8 102.05 10.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.47 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -61.3 -65.15 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.378 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.24 -57.98 0.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.78 72.12 0.13 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.07 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -153.88 157.7 39.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.695 -0.297 . . . . 0.0 110.486 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.512 HG11 HD13 ' A' ' 44' ' ' LEU . 13.3 p -143.98 140.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.079 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' A' ' 60' ' ' ILE . 36.8 mt-10 -126.45 139.16 53.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.441 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.496 ' HA ' ' HB ' ' A' ' 60' ' ' ILE . 15.4 m -142.95 139.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.184 0.302 . . . . 0.0 110.314 175.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -125.82 125.44 42.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 157.14 -157.23 27.89 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.825 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.51 92.89 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 pt -89.67 111.33 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.424 0.631 . . . . 0.0 109.87 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.8 -38.02 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.058 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.583 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -153.61 138.17 16.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.493 . . . . 0.0 111.447 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.531 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 25.9 mt -118.84 113.63 21.39 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 174.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.89 129.03 76.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 21.1 t80 -108.12 98.02 24.48 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HG2' ' HB ' ' A' ' 50' ' ' VAL . 53.1 Cg_endo -73.29 110.95 3.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.1 1.867 . . . . 0.0 111.001 169.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.1 -64.05 1.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 41.7 mt-10 52.33 -156.87 0.15 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.186 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.4 m80 70.67 -53.75 0.66 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.69 0.396 . . . . 0.0 110.803 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -98.83 19.82 14.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 74.3 m-70 67.3 -101.67 0.06 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.312 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -178.4 148.08 0.45 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.6 0.238 . . . . 0.0 111.407 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.2 m170 67.37 24.36 8.95 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.511 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 m80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.304 174.029 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.732 0.301 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -142.98 155.18 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.728 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.457 ' OD1' HD22 ' B' ' 146' ' ' LEU . 6.0 t-20 -156.83 -40.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 172.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -74.16 109.54 7.74 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 169.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.23 143.41 27.35 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.03 0.443 . . . . 0.0 110.51 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.58 112.7 25.87 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.906 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' B' ' 143' ' ' VAL . 54.6 tp -102.02 106.67 17.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.983 0.42 . . . . 0.0 110.003 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.581 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 46.4 t -107.79 118.1 35.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.827 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 26' ' ' LEU . 8.6 tt -129.51 130.66 46.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.197 0.522 . . . . 0.0 110.029 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 24.8 m -108.12 105.62 15.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.745 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.23 34.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.135 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 48.2 t -102.0 131.15 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 14.3 t -91.98 -31.96 15.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.735 0.302 . . . . 0.0 110.726 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -172.01 164.12 6.17 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.75 124.87 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.818 0.342 . . . . 0.0 110.271 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.551 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 78.5 mt-30 -75.61 -52.25 10.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.891 0.377 . . . . 0.0 110.541 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.1 m -148.03 117.4 6.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -105.51 114.38 28.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -130.7 152.98 81.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.86 32.91 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.298 2.665 . . . . 0.0 113.61 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.598 ' HA ' HD13 ' B' ' 129' ' ' LEU . 16.1 ptpt -166.07 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.769 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 1.0 OUTLIER -137.47 119.72 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.9 mt -122.53 118.78 56.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -174.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.84 101.98 13.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.483 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 97.1 mt -92.65 133.59 35.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.37 178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.551 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 2.9 tm-20 -99.94 101.55 12.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 35.7 p -92.48 -166.14 1.48 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.64 90.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.569 0.223 . . . . 0.0 110.873 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.38 24.15 14.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.406 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.86 -178.86 17.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.511 HG21 HD11 ' B' ' 154' ' ' LEU . 42.2 t -138.27 144.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 52.1 tp -122.74 115.45 22.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.48 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 41.1 t -99.0 117.25 33.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.7 mt -109.64 110.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.666 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.769 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 51.3 mtmt -110.6 130.98 55.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.28 . . . . 0.0 111.136 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . -175.9 -149.32 7.39 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -130.44 134.76 47.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt 58.05 71.42 0.58 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.536 0.684 . . . . 0.0 110.746 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.598 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -101.33 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.381 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.33 168.74 53.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.605 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' B' ' 143' ' ' VAL . 2.5 pp -138.72 157.05 29.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 122.446 -0.444 . . . . 0.0 111.369 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -74.6 131.88 41.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -68.74 103.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.185 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 84.6 mt -133.13 147.29 52.11 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.916 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.58 152.37 19.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.33 101.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 110.697 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -87.72 -80.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.62 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.82 -36.97 3.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.437 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.78 25.96 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.271 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.54 130.95 52.44 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.51 151.64 24.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 35.4 tt0 -139.29 122.43 16.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' B' ' 97' ' ' LEU . 26.8 m -102.69 147.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.364 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -128.95 125.01 36.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.129 -175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.92 -163.57 33.28 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 118.875 -1.631 . . . . 0.0 114.058 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.457 HD22 ' OD1' ' B' ' 93' ' ' ASN . 41.7 mt -94.44 73.98 3.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.365 -0.417 . . . . 0.0 110.715 -175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.566 HD12 HD22 ' B' ' 150' ' ' LEU . 37.3 pt -71.62 151.85 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.888 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -117.12 -48.96 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -144.67 147.47 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.16 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.566 HD22 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -116.11 137.99 51.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 52.0 t -135.55 115.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.318 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.583 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 1.3 t80 -108.56 97.64 24.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 3.4 Cg_exo -81.94 178.22 6.64 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.847 2.364 . . . . 0.0 112.511 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 121' ' ' VAL . 76.9 mt 71.96 -139.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.714 177.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.526 ' HG2' ' H ' ' B' ' 156' ' ' HIS . 19.1 tt0 179.95 -177.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -165.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . 0.526 ' H ' ' HG2' ' B' ' 155' ' ' GLU . 10.7 m170 -68.49 68.94 0.15 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 164.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -76.52 114.15 14.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.856 -167.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -67.63 129.34 39.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.418 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -103.22 125.77 50.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -175.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.57 115.29 6.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.805 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.251 1.157 0 O-C-N 124.072 0.857 . . . . 0.0 110.371 -178.65 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.761 0.315 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.37 -5.61 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.1 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 70.21 10.16 7.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.713 0.768 . . . . 0.0 109.531 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -89.75 143.33 26.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.877 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.566 ' OE1' HD13 ' A' ' 76' ' ' ILE . 71.8 mt-30 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.728 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 75.5 m-85 -109.9 115.87 30.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.7 tp -112.06 106.9 15.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 1.011 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 16.1 m -105.17 113.73 27.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.713 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.5 tp -113.65 146.58 39.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.038 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 68.1 m -132.09 112.66 12.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.645 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.55 -11.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.71 129.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.942 0.401 . . . . 0.0 110.73 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 m -94.31 -35.96 12.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.825 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -163.99 151.27 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.609 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 44' ' ' LEU . 19.7 m -96.98 127.97 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.889 0.376 . . . . 0.0 110.432 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -87.65 -21.41 25.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 111.177 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -164.06 122.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -109.01 103.01 11.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 0.0 110.337 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 40' ' ' LYS . 7.2 m-20 -134.29 138.57 30.61 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.675 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -67.52 12.26 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 174.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 38' ' ' ASP . 40.9 ttmt -120.9 -25.04 5.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.111 0.481 . . . . 0.0 110.084 175.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 35.8 tt0 -164.54 114.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 -176.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -111.25 123.76 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.11 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -98.23 105.94 18.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD23 HG13 ' A' ' 34' ' ' VAL . 87.4 mt -97.58 109.2 22.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.11 102.44 11.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -125.15 149.1 48.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.537 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm 53.43 -88.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.622 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -143.9 12.89 1.66 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.151 0.501 . . . . 0.0 110.198 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.06 -171.05 12.4 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.084 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.53 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 42.8 t -127.81 126.82 67.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.731 0.301 . . . . 0.0 110.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.92 120.18 39.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.479 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.46 111.25 23.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.824 0.345 . . . . 0.0 110.655 -177.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.552 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -94.81 115.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -114.57 136.22 53.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.569 -174.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 166.11 -148.1 13.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.738 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -135.14 150.9 50.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 mttp 59.42 30.14 19.79 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.917 0.865 . . . . 0.0 109.826 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD22 HG13 ' A' ' 42' ' ' ILE . 14.0 tp -75.8 73.74 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.528 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.95 161.17 19.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.856 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.34 143.15 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 57.3 tttm -54.76 -76.82 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 O-C-N 123.4 0.438 . . . . 0.0 110.058 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 7.7 t60 177.55 67.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -152.82 136.87 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -88.77 160.29 17.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 tt -86.43 107.0 17.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -139.71 -32.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.18 -15.05 15.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.988 0.423 . . . . 0.0 110.365 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.82 -4.9 29.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.654 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.49 ' HG2' HG23 ' A' ' 29' ' ' THR . 19.2 mt-30 -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -148.35 131.98 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -116.69 115.54 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.35 135.14 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.117 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.29 138.56 50.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 0.0 110.809 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.03 -159.78 30.63 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.071 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -91.68 89.0 6.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.566 HD13 ' OE1' ' A' ' 24' ' ' GLN . 27.0 pt -78.61 117.92 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.421 0.629 . . . . 0.0 109.985 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -84.66 -39.3 18.77 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.065 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.06 156.85 20.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.85 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.92 120.46 39.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.479 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.7 t -116.56 129.28 73.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.834 0.349 . . . . 0.0 111.241 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -118.22 103.91 48.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.53 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 32.6 Cg_endo -65.79 80.87 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.913 2.409 . . . . 0.0 113.748 -176.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.653 HD13 ' HB3' ' B' ' 149' ' ' ALA . 81.0 mt -125.63 45.54 2.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.515 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.24 121.12 12.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.184 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.733 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.403 ' HB3' ' H ' ' A' ' 87' ' ' HIS . 1.6 m-70 175.44 -165.72 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.187 0.929 . . . . 0.0 109.786 174.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 86' ' ' HIS . 2.6 p-80 -65.55 -15.52 62.78 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -117.47 116.33 26.94 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.249 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -100.08 -8.93 23.17 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.651 177.69 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 68.72 149.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.291 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.471 ' HB3' HD23 ' B' ' 146' ' ' LEU . 6.5 t30 -110.62 1.74 18.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' B' ' 146' ' ' LEU . 6.7 ptp85 -93.95 157.04 16.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.79 148.53 51.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.981 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.579 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 87.2 m-85 -97.22 112.94 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.9 tp -106.96 117.99 35.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 1.011 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 12.9 m -112.72 111.09 21.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.598 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 39.4 tp -112.37 126.31 55.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.728 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 20.0 m -120.37 126.48 50.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.4 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.46 13.91 5.07 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.622 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 68.4 t -80.72 136.84 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.831 0.348 . . . . 0.0 110.204 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.0 p -92.57 -34.16 14.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.29 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -166.23 154.08 10.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.303 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -99.12 134.97 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.83 -59.11 2.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.437 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t -142.03 136.44 30.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.802 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -117.01 104.99 11.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.025 0.44 . . . . 0.0 111.036 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 5.0 m-20 -128.01 137.32 30.55 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.475 173.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 35.4 Cg_exo -63.7 -1.92 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.933 2.422 . . . . 0.0 112.947 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.12 -21.34 12.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 111.054 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.677 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.5 tt0 -166.63 115.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 110.513 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.42 HD13 ' HB3' ' B' ' 129' ' ' LEU . 61.1 mt -100.99 125.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.055 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -101.21 100.61 11.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.281 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -100.67 131.94 46.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.122 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -94.73 126.99 40.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.039 0.447 . . . . 0.0 109.802 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 30.1 p -105.44 -175.19 2.72 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 118' ' ' ILE . 46.4 mt -31.5 -63.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 124.558 1.161 . . . . 0.0 112.26 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -138.77 32.8 2.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.402 . . . . 0.0 110.363 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.12 -176.72 22.64 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.291 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.606 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 42.5 t -133.47 138.86 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.74 118.63 34.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 17.6 m -96.59 110.43 22.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.91 0.386 . . . . 0.0 110.344 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.677 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -89.27 109.88 20.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -100.87 140.23 35.45 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 166.33 -147.63 12.4 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.06 146.92 27.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.664 0.269 . . . . 0.0 110.421 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 tttm 59.48 38.03 22.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.833 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . 0.42 ' HB3' HD13 ' B' ' 113' ' ' ILE . 9.9 mp -75.52 72.19 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.467 174.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -112.67 -169.72 17.8 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.028 -175.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.3 85.99 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.999 0.904 . . . . 0.0 110.259 -175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -149.51 96.29 2.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.487 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -127.18 13.91 7.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.116 0.484 . . . . 0.0 110.999 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 88.7 mt -92.52 -14.26 28.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.45 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 64.04 -80.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.951 -174.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 38.0 tp -161.89 -54.63 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.416 ' HZ3' ' HB3' ' B' ' 137' ' ' LYS . 8.3 mtpm? 61.54 -98.41 0.08 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.088 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.28 14.12 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.014 0.435 . . . . 0.0 110.861 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.56 37.05 14.85 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.3 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.468 ' HB2' HG22 ' B' ' 100' ' ' THR . 8.2 tt0 -140.74 118.62 11.79 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.31 143.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.444 ' HG2' ' OG ' ' B' ' 98' ' ' SER . 43.9 mt-10 -108.49 118.43 36.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.795 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.11 146.76 31.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.11 132.12 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.481 0.658 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.81 166.58 39.76 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.741 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.569 ' HA ' ' HA ' ' B' ' 94' ' ' ARG . 6.5 mp -84.0 83.75 7.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.655 HD11 HD21 ' B' ' 150' ' ' LEU . 17.7 pt -76.7 132.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.606 0.717 . . . . 0.0 111.491 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -89.12 -51.04 5.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.13 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.653 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -149.44 153.74 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.934 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.655 HD21 HD11 ' B' ' 147' ' ' ILE . 4.6 mm? -114.96 113.61 24.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.51 112.59 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.021 0.438 . . . . 0.0 110.923 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -113.1 98.06 44.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 59.2 Cg_endo -75.7 101.62 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.31 2.006 . . . . 0.0 111.959 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.684 ' HG ' ' H ' ' B' ' 155' ' ' GLU . 21.9 tp -91.37 178.26 6.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.541 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.684 ' H ' ' HG ' ' B' ' 154' ' ' LEU . 37.0 tt0 -55.98 129.11 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.567 0.542 . . . . 0.0 110.369 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -76.49 92.33 3.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.657 -169.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -115.93 -80.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -145.68 166.78 24.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -84.36 -41.49 16.69 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 173.88 -34.32 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-N 113.513 -1.676 . . . . 0.0 107.819 166.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.56 0.219 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.679 ' O ' HD13 ' B' ' 118' ' ' ILE . 5.0 t0 -151.46 154.57 36.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' HB2' HD21 ' A' ' 75' ' ' LEU . 29.8 m-80 -103.13 -0.09 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.944 0.402 . . . . 0.0 111.281 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -75.01 99.75 3.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 74.0 mt-30 -108.08 152.38 24.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.743 -177.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.71 112.24 25.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 60.9 tp -107.57 114.58 28.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.895 0.379 . . . . 0.0 110.501 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 8.5 t -119.46 115.88 24.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD11 HD11 ' B' ' 97' ' ' LEU . 30.5 tp -133.19 132.27 41.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.662 -177.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.5 p -94.11 179.1 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.539 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.37 37.19 59.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.347 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -99.53 130.87 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 110.068 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -95.16 -46.42 6.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.242 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.59 150.47 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 111.115 -176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.07 111.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -49.36 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 0.0 111.222 -175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 t -124.39 118.95 27.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HE1' HG21 ' A' ' 60' ' ' ILE . 87.8 t80 -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.172 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 10.6 m-20 -134.62 150.01 72.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.922 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.93 -3.35 13.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.201 1.934 . . . . 0.0 112.015 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' A' ' 40' ' ' LYS . 3.8 mmmp? -117.86 -25.78 6.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.925 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 80.6 tt0 -158.92 114.47 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.818 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.83 128.97 65.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.06 108.43 19.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD13 HG22 ' A' ' 70' ' ' VAL . 93.6 mt -97.21 125.2 41.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.81 112.67 17.32 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.5 p -106.16 178.24 4.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.849 -0.159 . . . . 0.0 110.615 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -38.46 -53.31 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 0.0 112.943 -173.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -139.83 36.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.25 -165.41 28.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.777 -1.201 . . . . 0.0 112.932 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.81 126.03 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 44' ' ' LEU . 57.1 tp -96.58 117.79 31.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.781 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.7 m -98.85 109.43 22.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 mt -99.32 114.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -104.14 149.09 25.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.02 24.46 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 12.2 pt-20 -145.64 150.38 36.22 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.671 -0.311 . . . . 0.0 110.726 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.6 mttm 53.03 52.89 12.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.93 -172.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.58 73.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.381 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.49 107.22 1.05 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.87 ' HB ' HG11 ' A' ' 72' ' ' VAL . 10.6 tt -138.55 53.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.515 1.15 . . . . 0.0 108.767 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 18.0 ttmt -85.23 17.21 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.407 -176.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -97.62 83.26 3.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.71 110.66 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.13 -174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -170.04 -37.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.254 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.3 tp 61.27 26.11 16.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.704 0.764 . . . . 0.0 109.361 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.33 -49.78 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.772 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 69' ' ' GLN . . . -95.09 7.6 45.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.117 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.28 45.59 95.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.712 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' A' ' 67' ' ' ALA . 4.1 pt20 -138.07 160.8 38.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.489 HG22 HD13 ' A' ' 44' ' ' LEU . 11.4 p -111.14 134.43 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 0.0 110.381 177.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -131.4 106.71 8.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.87 HG11 ' HB ' ' A' ' 60' ' ' ILE . 26.9 m -130.34 146.65 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -137.42 131.84 32.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 172.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 166.9 -168.83 40.51 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.97 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 22' ' ' ASN . 73.9 mt -85.86 85.91 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.8 pt -81.03 144.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.609 ' OD1' ' HB3' ' B' ' 156' ' ' HIS . 16.8 t70 -104.94 -52.62 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.533 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.6 153.39 28.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 85.6 mt -116.15 135.75 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.781 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.1 t -122.24 122.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.765 0.316 . . . . 0.0 110.55 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.498 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.2 OUTLIER -127.01 104.35 22.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.034 177.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.22 145.85 67.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.902 2.401 . . . . 0.0 111.903 177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.783 HD23 ' HB1' ' B' ' 149' ' ' ALA . 82.0 mt -98.31 -87.0 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.689 -175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -100.37 31.4 3.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 111.574 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -79.6 77.65 6.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.802 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 6.5 p80 -41.91 113.23 0.41 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.91 0.862 . . . . 0.0 112.301 -172.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -96.81 77.13 2.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.946 -171.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -138.4 -84.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.531 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.7 t60 176.45 102.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.706 0.629 . . . . 0.0 109.655 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.802 ' HB2' ' HE1' ' A' ' 86' ' ' HIS . 47.4 t-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.793 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' B' ' 91' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.907 0.384 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.6 24.03 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 111.372 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.428 HD21 HD21 ' B' ' 146' ' ' LEU . 1.2 p-10 -84.98 -16.84 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.521 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -83.03 136.25 34.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.087 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.03 137.56 48.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.525 173.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -102.27 126.54 49.3 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 57.9 tp -116.82 113.27 22.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.07 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 48.2 t -109.35 124.55 51.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.655 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 28.4 tp -134.11 158.62 43.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.311 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.487 HG22 ' HG2' ' B' ' 140' ' ' GLN . 70.1 p -127.28 155.22 43.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.452 ' HA3' HD12 ' B' ' 118' ' ' ILE . . . 94.57 17.08 40.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.184 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.77 113.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 m -84.86 -24.68 28.44 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.205 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -175.26 148.38 0.96 Allowed 'General case' 0 C--O 1.227 -0.083 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.869 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.99 106.94 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.514 HE21 ' HB2' ' B' ' 116' ' ' GLU . 68.8 mt-30 -76.59 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.348 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.3 t -129.47 125.32 36.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.655 ' HZ ' ' HA ' ' B' ' 132' ' ' LYS . 78.0 t80 -113.95 105.61 13.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.89 0.376 . . . . 0.0 111.053 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -132.45 139.13 33.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -59.01 -10.76 10.71 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.969 2.446 . . . . 0.0 113.975 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -108.98 -21.88 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.183 -0.323 . . . . 0.0 111.808 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 42.2 tt0 -153.96 112.39 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 111.347 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.62 128.89 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.063 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.67 104.61 15.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.428 HD12 HG13 ' B' ' 141' ' ' VAL . 95.3 mt -97.94 115.21 27.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.921 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.514 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -75.76 114.87 14.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 16.0 p -119.06 -171.98 2.21 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.357 0.599 . . . . 0.0 111.324 -173.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 21' ' ' ASP . 16.0 mt -61.72 118.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.697 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' B' ' 118' ' ' ILE . 6.5 pt20 63.07 3.3 1.23 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.918 1.287 . . . . 0.0 113.324 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.07 -165.47 22.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.334 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.76 122.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.17 119.34 34.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.116 0.484 . . . . 0.0 109.969 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.743 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.9 m -98.15 117.58 32.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 12.3 mm -101.7 117.98 47.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.435 ' HG2' ' HG3' ' B' ' 112' ' ' GLU . 27.6 mtpp -123.16 144.12 49.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.647 0.26 . . . . 0.0 111.187 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.401 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 165.02 -139.43 5.82 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.184 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.63 134.68 39.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.661 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 36.2 ttmt 49.46 79.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.852 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.42 72.99 8.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.181 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.72 174.79 18.42 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.851 -1.068 . . . . 0.0 114.309 -171.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.719 HG13 ' HG2' ' B' ' 144' ' ' GLU . 62.8 mt 70.44 74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.894 0.854 . . . . 0.0 109.397 -169.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.655 ' HA ' ' HZ ' ' B' ' 108' ' ' PHE . 55.3 pttt -67.22 146.59 54.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.415 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -160.86 111.25 1.75 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 -4.97 33.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -96.88 176.48 5.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.995 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 41.3 tp -150.71 96.29 2.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.575 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -105.84 121.48 44.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.683 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 71.6 -0.54 3.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.087 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.07 39.58 88.7 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.901 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.487 ' HG2' HG22 ' B' ' 100' ' ' THR . 22.1 mt-30 -122.73 159.66 27.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.428 HG13 HD12 ' B' ' 115' ' ' LEU . 9.5 p -146.77 133.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 44.3 tt0 -130.12 113.93 15.11 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.6 m -113.79 154.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . 0.719 ' HG2' HG13 ' B' ' 131' ' ' ILE . 6.3 pt-20 -131.2 125.64 33.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . 0.661 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 163.36 -154.23 25.06 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.425 -1.369 . . . . 0.0 113.463 176.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.428 HD21 HD21 ' B' ' 93' ' ' ASN . 37.3 mt -101.86 86.5 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.318 -0.441 . . . . 0.0 110.142 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.96 133.59 29.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.365 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.401 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 37.3 m-20 -104.37 -46.79 4.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.783 ' HB1' HD23 ' A' ' 83' ' ' LEU . . . -139.38 139.16 37.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.527 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.456 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 76.9 mt -115.66 113.18 23.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.743 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 49.0 t -109.6 118.81 57.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 -173.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.415 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -130.78 107.81 15.49 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.297 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.84 144.49 98.53 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.463 2.109 . . . . 0.0 111.667 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.409 ' HB3' ' CE1' ' B' ' 156' ' ' HIS . 86.5 mt -68.71 89.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.25 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' B' ' 157' ' ' HIS . 45.2 mm-40 -94.9 16.45 16.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.773 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . 0.609 ' HB3' ' OD1' ' A' ' 77' ' ' ASP . 8.6 p-80 -80.49 38.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.104 0.478 . . . . 0.0 110.154 173.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . 0.412 ' H ' ' C ' ' B' ' 155' ' ' GLU . 6.0 t60 -78.52 84.1 4.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.092 -176.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -106.71 -19.65 13.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.784 -175.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -84.75 86.01 7.38 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 122.132 0.968 . . . . 0.0 109.87 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -165.44 102.3 0.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.948 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.638 178.173 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -100.99 99.66 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 111.157 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' HD12 ' B' ' 118' ' ' ILE . 8.1 p30 -131.04 -14.59 3.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.054 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -85.87 133.18 33.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.58 0.705 . . . . 0.0 110.121 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.64 142.7 40.41 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.029 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 43.9 m-85 -97.25 127.44 43.22 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -118.65 116.98 27.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.519 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 4.7 m -115.01 110.68 19.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 51' ' ' LEU . 29.3 tp -112.82 126.17 55.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.482 HG21 ' HG2' ' A' ' 69' ' ' GLN . 26.9 m -106.77 130.88 54.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 177.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.77 22.66 3.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.968 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.531 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 43.7 t -88.88 111.38 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -79.5 -33.7 41.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -155.05 142.87 19.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.564 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.46 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 173.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -72.89 -49.54 29.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.512 . . . . 0.0 110.684 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 m -152.03 142.57 22.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -123.5 105.37 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -123.73 150.71 62.63 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -15.31 36.53 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.989 2.459 . . . . 0.0 112.981 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -103.27 -30.36 10.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.549 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 37.7 tt0 -149.11 130.65 14.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -170.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.1 mt -119.67 128.17 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.911 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.15 114.97 29.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.409 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD11 HD22 ' A' ' 51' ' ' LEU . 86.2 mt -109.52 118.19 35.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.248 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.93 106.99 18.17 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 31' ' ' VAL . 72.6 p -109.11 175.7 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.56 -171.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -32.38 -61.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.448 1.092 . . . . 0.0 113.001 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -140.41 60.69 1.53 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.534 0.683 . . . . 0.0 109.915 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.69 175.58 36.33 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.806 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.738 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 47.4 t -125.42 141.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 28' ' ' LEU . 61.0 tp -108.75 124.53 50.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -107.33 102.77 12.04 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 35.1 mt -89.79 112.71 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG2' ' OE2' ' A' ' 41' ' ' GLU . 54.5 mttm -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.19 0.306 . . . . 0.0 110.442 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.21 -149.64 19.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.675 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.73 138.58 54.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.793 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 16.3 tppt? 62.88 88.31 0.1 Allowed 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 110.471 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.87 71.26 0.88 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.257 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.52 131.72 10.78 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.533 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 72' ' ' VAL . 2.0 tp -126.09 -68.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 171.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.721 ' H ' HG21 ' A' ' 60' ' ' ILE . 20.0 tptm -159.1 -91.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.208 -0.197 . . . . 0.0 110.698 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 169.2 -57.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -117.07 92.93 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.034 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 66' ' ' LYS . 1.2 p-10 -142.26 -102.95 0.13 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.223 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tt 69.0 -37.9 0.38 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.609 0.764 . . . . 0.0 111.053 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 64' ' ' ASP . 14.2 tmtt? 68.85 -80.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.588 0.755 . . . . 0.0 110.788 174.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.24 58.14 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.214 0.53 . . . . 0.0 109.932 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 83.22 13.92 75.7 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.046 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.482 ' HG2' HG21 ' A' ' 29' ' ' THR . 53.8 mt-30 -117.89 110.67 18.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.947 0.403 . . . . 0.0 110.26 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.404 HG21 HD22 ' A' ' 44' ' ' LEU . 98.5 t -108.14 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.667 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' O ' HD13 ' A' ' 60' ' ' ILE . 39.9 tt0 -125.54 105.96 9.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.75 HG12 ' HB ' ' A' ' 60' ' ' ILE . 35.8 m -121.09 163.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.009 -175.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.91 142.66 51.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.906 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.793 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 161.26 -162.35 33.69 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.268 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.9 mt -103.74 87.93 2.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.793 0.33 . . . . 0.0 110.118 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.84 132.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.29 0.566 . . . . 0.0 111.042 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.92 -52.82 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.997 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.12 143.22 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.967 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 85.0 mt -119.85 117.96 29.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.516 176.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.98 133.09 66.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.99 96.85 41.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.576 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.738 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 44.7 Cg_endo -71.15 131.49 19.37 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.504 2.136 . . . . 0.0 112.68 178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.608 HD12 ' HB1' ' B' ' 149' ' ' ALA . 88.9 mt -119.92 165.85 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 66.6 118.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.228 0.955 . . . . 0.0 112.753 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -89.07 88.95 7.76 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -74.82 124.1 26.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.829 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -96.49 142.81 28.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.604 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -91.31 147.21 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -98.85 2.78 47.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.585 0.707 . . . . 0.0 110.303 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.611 175.183 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.55 0.215 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' B' ' 94' ' ' ARG . 13.1 m-20 -85.8 -153.54 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 78.52 -28.08 0.16 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.535 0.734 . . . . 0.0 109.857 -178.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' B' ' 92' ' ' ASP . 11.7 ptp180 -70.53 93.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.693 0.759 . . . . 0.0 109.209 172.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -90.05 157.09 17.96 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.494 -171.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -105.97 113.4 26.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.475 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -115.1 116.97 29.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.362 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 22.9 t -117.84 126.5 52.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.978 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 125.52 46.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.547 HG21 ' HG2' ' B' ' 140' ' ' GLN . 15.5 m -108.21 100.73 10.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.02 53.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.35 138.86 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 26.4 t -88.18 -55.4 3.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -144.68 148.09 33.82 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.275 -0.265 . . . . 0.0 110.614 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.6 126.59 51.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -95.78 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.031 0.443 . . . . 0.0 110.873 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -115.15 123.57 49.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -124.62 102.73 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.352 0.596 . . . . 0.0 111.524 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 111' ' ' LYS . 17.1 t70 -134.62 145.47 55.1 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.72 11.04 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.241 1.961 . . . . 0.0 113.471 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.763 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 36.5 mtmm -129.21 -14.15 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.053 -0.404 . . . . 0.0 111.495 173.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.1 tt0 -152.31 113.08 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.05 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.708 HD12 HD11 ' B' ' 131' ' ' ILE . 50.9 mt -120.76 117.47 53.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.361 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.79 96.76 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.479 HD11 HG13 ' B' ' 141' ' ' VAL . 83.3 mt -93.54 110.95 22.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.247 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -77.63 111.2 13.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.3 0.572 . . . . 0.0 109.644 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -87.77 178.61 6.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.717 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 22' ' ' ASN . 57.7 mt -51.67 -36.69 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.41 -174.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -134.76 19.45 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.12 -155.54 10.3 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 119.571 -1.299 . . . . 0.0 112.994 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.13 139.32 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -114.24 119.6 37.57 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.867 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.9 t -96.81 111.45 23.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 0.0 110.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 4.5 mm -90.39 116.1 31.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -106.79 145.36 32.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.56 -145.59 11.08 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.147 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . 0.763 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 9.4 pt-20 -149.26 149.99 31.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 66.14 23.09 11.02 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.356 0.41 . . . . 0.0 111.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.0 73.66 0.28 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.383 0.673 . . . . 0.0 112.218 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.8 131.25 10.26 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.681 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.825 HG12 HG22 ' B' ' 143' ' ' VAL . 53.9 mt -104.34 128.48 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -123.41 27.9 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.625 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -157.9 142.95 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.581 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -150.7 -177.62 6.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.955 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.656 ' HB3' ' HA3' ' B' ' 139' ' ' GLY . 18.7 t70 -137.97 -81.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.167 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.558 ' CG ' ' H ' ' B' ' 137' ' ' LYS . 0.3 OUTLIER -89.93 -99.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.821 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.558 ' H ' ' CG ' ' B' ' 136' ' ' LEU . 90.7 mttt -89.61 -33.99 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 170.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -136.7 -73.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.324 172.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . 0.656 ' HA3' ' HB3' ' B' ' 135' ' ' ASP . . . 69.54 -99.47 0.66 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.828 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.547 ' HG2' HG21 ' B' ' 100' ' ' THR . 78.6 mt-30 -107.49 110.1 21.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.479 HG13 HD11 ' B' ' 115' ' ' LEU . 13.6 p -106.54 143.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.366 0.603 . . . . 0.0 111.22 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -134.13 106.8 7.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.327 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.825 HG22 HG12 ' B' ' 131' ' ' ILE . 27.5 t -110.25 131.5 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.559 -176.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -127.98 130.1 47.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.335 . . . . 0.0 110.101 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 163.31 -175.71 39.56 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.026 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.512 ' HB2' ' HG3' ' B' ' 127' ' ' GLU . 3.2 mm? -80.59 89.84 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.01 145.57 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.392 0.615 . . . . 0.0 110.773 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.59 -54.78 2.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.305 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.608 ' HB1' HD12 ' A' ' 83' ' ' LEU . . . -167.72 169.97 11.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.827 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.3 127.09 54.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.479 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . 0.867 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 63.2 t -115.63 113.32 43.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.474 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -118.32 130.23 24.89 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' B' ' 154' ' ' LEU . 30.1 Cg_endo -63.61 -152.99 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.239 2.626 . . . . 0.0 112.581 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' B' ' 153' ' ' PRO . 9.4 mp 74.36 -71.12 0.14 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.967 0.507 . . . . 0.0 110.22 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -94.46 -47.43 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.942 0.401 . . . . 0.0 110.285 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' B' ' 152' ' ' TYR . 69.8 t60 -85.83 44.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.436 0.636 . . . . 0.0 110.798 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -172.04 93.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.8 148.16 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.847 0.356 . . . . 0.0 111.299 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -115.84 -16.67 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.719 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -45.67 108.5 0.13 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.614 0.571 . . . . 0.0 112.453 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.293 -0.86 . . . . 0.0 109.61 179.454 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.1 0.476 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -151.44 144.7 24.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' HA ' HD11 ' B' ' 118' ' ' ILE . 3.2 t30 -81.09 -4.98 57.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 27.2 mtp85 -77.22 117.61 18.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -107.4 149.64 27.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-30 -97.54 114.97 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' HG23 ' A' ' 72' ' ' VAL . 38.0 tp -109.84 111.68 23.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.98 0.419 . . . . 0.0 110.616 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 18.6 m -111.08 118.72 36.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.65 134.53 52.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -106.51 162.63 13.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.357 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.22 55.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.433 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.85 121.9 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -87.19 -44.89 11.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.431 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -160.07 147.88 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 -173.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -92.92 121.91 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -79.19 -45.48 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.572 . . . . 0.0 110.305 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 t -148.2 127.32 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.279 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -113.31 106.59 14.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.137 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -129.63 139.59 36.11 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.85 -24.27 13.24 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.309 2.673 . . . . 0.0 114.174 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 31.7 mtpt -105.69 -6.06 19.48 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -169.12 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.977 0.417 . . . . 0.0 111.288 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.9 mt -112.86 124.66 69.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -99.03 101.95 13.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.901 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.55 120.25 37.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.616 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.32 114.49 20.83 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 t -120.49 -163.52 1.02 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.142 -173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' HG13 ' A' ' 47' ' ' ILE . 33.8 pt -57.73 108.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.499 0.666 . . . . 0.0 112.167 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 66.31 0.92 1.85 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.926 -1.033 . . . . 0.0 113.178 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.79 -173.41 30.41 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.307 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.83 140.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -110.8 126.42 54.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.312 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.2 t -96.2 107.75 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.412 HG22 HD21 ' A' ' 58' ' ' LEU . 60.0 mt -104.67 110.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.194 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 78' ' ' ALA . 5.9 mtmp? -106.83 150.1 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 168.58 -161.15 34.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.732 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -117.96 133.67 55.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.993 0.117 . . . . 0.0 111.017 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.6 64.44 1.82 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.965 0.791 . . . . 0.0 112.436 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 HD21 HG22 ' A' ' 53' ' ' ILE . 10.1 mp -88.96 73.38 8.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.959 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.16 -153.23 7.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.953 -177.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.4 mt 75.83 109.49 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.709 ' HZ2' ' HB2' ' A' ' 61' ' ' LYS . 0.2 OUTLIER 52.99 90.33 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.09 -1.414 . . . . 0.0 114.322 167.361 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -174.22 93.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.948 172.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.79 7.29 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 110.338 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.88 -72.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.127 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp 60.06 29.77 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.834 0.826 . . . . 0.0 109.331 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -79.5 -28.49 41.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.907 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.22 24.91 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.935 0.398 . . . . 0.0 110.746 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.02 10.82 73.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.287 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -92.67 124.07 36.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.443 0.297 . . . . 0.0 110.511 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.09 123.64 64.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -109.06 122.73 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.247 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 26' ' ' LEU . 16.3 m -123.91 132.14 71.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.907 0.384 . . . . 0.0 110.067 175.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 38.3 tt0 -115.05 125.63 53.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.2 -170.3 42.39 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.864 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.776 ' HG ' ' HG2' ' A' ' 23' ' ' ARG . 2.8 mp -105.4 90.15 3.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.0 pt -66.8 142.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.757 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.16 -48.97 4.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.321 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.491 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . . . -160.97 146.1 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.82 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.38 119.42 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.41 118.28 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.934 0.397 . . . . 0.0 110.762 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -113.6 109.65 50.58 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.59 106.91 2.19 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.808 2.339 . . . . 0.0 111.957 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.481 HD22 ' HB2' ' B' ' 149' ' ' ALA . 2.3 pt? -121.4 -11.39 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.32 128.02 24.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.346 0.593 . . . . 0.0 111.406 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -88.17 147.21 24.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.077 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -91.88 84.27 5.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.415 0.626 . . . . 0.0 112.132 -172.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -109.95 -42.18 4.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -135.62 131.71 36.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.008 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -90.59 100.57 13.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.67 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.417 -176.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' B' ' 91' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.62 -7.1 23.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.505 ' CG ' HD23 ' B' ' 146' ' ' LEU . 11.5 t-20 -158.82 172.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 175.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.535 ' HG2' ' HG ' ' B' ' 146' ' ' LEU . 66.1 mtp180 69.67 113.26 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.987 -177.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -116.53 149.34 39.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -102.41 113.22 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.228 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 51.3 tp -99.12 107.46 19.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.792 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 16.3 t -110.36 120.57 42.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 42.7 tp -139.55 139.89 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.422 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.7 p -106.01 167.72 9.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.075 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.76 20.79 42.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.814 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 52.0 t -86.91 129.44 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 13.1 p -106.17 -18.34 14.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.843 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -171.99 148.87 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.297 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.9 t -91.16 109.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.411 ' CD ' ' HB2' ' B' ' 116' ' ' GLU . 11.0 mm100 -71.47 -54.83 9.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.471 . . . . 0.0 110.893 -175.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -149.8 146.59 27.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.899 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.507 ' CE1' HG23 ' B' ' 131' ' ' ILE . 31.1 t80 -129.74 106.76 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.258 0.552 . . . . 0.0 111.082 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -132.43 140.58 38.35 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.67 -8.96 4.76 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.909 2.406 . . . . 0.0 114.065 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 63.0 mttp -114.15 -17.23 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.541 0.21 . . . . 0.0 111.56 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.524 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . 35.6 tt0 -153.1 116.58 4.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.252 0.549 . . . . 0.0 111.447 -175.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.5 mt -115.88 129.79 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.84 123.26 48.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.17 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.484 HD12 HG11 ' B' ' 141' ' ' VAL . 85.8 mt -121.62 127.66 51.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.411 ' HB2' ' CD ' ' B' ' 106' ' ' GLN . 29.6 tt0 -81.38 131.23 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.7 p -122.34 -178.88 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.374 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 22' ' ' ASN . 41.0 mt -38.07 -53.48 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 124.133 0.973 . . . . 0.0 113.487 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.12 19.5 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.26 -152.65 8.94 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.498 -1.334 . . . . 0.0 113.254 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.527 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 38.2 t -137.67 152.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -116.49 136.27 53.13 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.6 t -114.6 118.14 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.992 0.425 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.34 120.71 59.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' B' ' 112' ' ' GLU . 13.8 mmmm -116.63 136.17 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.997 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 167.1 -149.17 14.34 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.28 152.11 44.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.625 0.25 . . . . 0.0 110.891 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 128' ' ' LYS . 48.0 tttm 64.14 28.21 14.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.356 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.23 72.97 0.94 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.09 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.81 149.06 18.42 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.741 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.558 ' HB ' HG13 ' B' ' 143' ' ' VAL . 8.8 tt -140.58 153.42 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.5 164.48 12.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -78.81 79.83 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.856 0.836 . . . . 0.0 110.447 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.6 -6.57 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.381 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 72.16 156.17 0.16 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.182 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.0 79.55 6.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.787 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' B' ' 137' ' ' LYS . 44.5 mmtt -132.83 141.23 48.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.95 174.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 71.15 -4.65 1.73 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 124.035 0.835 . . . . 0.0 111.12 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' B' ' 137' ' ' LYS . . . 64.47 35.77 92.35 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.746 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.74 137.05 52.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 111.038 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' VAL . . . . . 0.484 HG11 HD12 ' B' ' 115' ' ' LEU . 11.4 p -126.33 148.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.209 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 41.7 tt0 -146.77 111.14 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' VAL . . . . . 0.558 HG13 ' HB ' ' B' ' 131' ' ' ILE . 34.3 m -117.29 156.19 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -120.65 141.1 50.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.06 172.08 36.18 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.135 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . 0.535 ' HG ' ' HG2' ' B' ' 94' ' ' ARG . 4.2 mp -92.95 89.25 6.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' ILE . . . . . 0.518 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 19.0 pt -82.67 134.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.241 -175.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.93 -20.8 17.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.596 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' ALA . . . . . 0.481 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -158.76 138.62 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.155 0.502 . . . . 0.0 111.586 -177.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 82.8 mt -115.95 114.29 24.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 55.0 t -120.06 117.41 53.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.172 0.51 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -103.57 103.05 33.81 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 171.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 37.8 Cg_exo -25.24 97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 125.208 3.939 . . . . 0.0 114.744 -173.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 59.9 tp -115.35 111.28 20.62 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.053 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.87 80.01 0.89 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.553 0.692 . . . . 0.0 110.208 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -61.89 138.58 58.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.445 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -53.42 109.18 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.558 0.694 . . . . 0.0 111.534 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -140.0 48.58 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.813 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -76.3 57.39 1.15 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.663 0.744 . . . . 0.0 109.641 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -171.98 131.1 0.65 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.422 -1.263 . . . . 0.0 107.722 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 12.9 t60 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.06 -176.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB3' HD23 ' A' ' 75' ' ' LEU . 6.6 t-20 . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.746 0.307 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' HD3' ' HD3' ' A' ' 57' ' ' LYS . 68.9 mtm180 -78.4 129.63 35.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.427 . . . . 0.0 110.565 173.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -113.39 145.71 40.69 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 93.0 m-85 -97.83 118.33 34.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 tp -114.3 116.26 28.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.927 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.598 ' OG ' ' HB3' ' B' ' 98' ' ' SER . 4.7 p -119.9 132.46 55.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.686 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -133.35 134.37 43.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.766 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -103.16 154.86 18.87 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.81 24.2 21.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.08 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.52 106.58 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -81.01 -38.83 26.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.795 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 56.0 tttm -146.82 150.2 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.462 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.23 139.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 13.2 mm-40 -94.46 -58.9 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.876 0.37 . . . . 0.0 110.348 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 t -143.82 140.3 29.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.479 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -121.41 105.28 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.819 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 14.3 t70 -133.22 136.87 28.09 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.8 Cg_exo -65.05 13.0 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 123.125 2.55 . . . . 0.0 113.771 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 19.7 ttmm -129.91 -15.24 3.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.653 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -155.63 111.55 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 110.77 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 58' ' ' LEU . 45.0 mm -105.59 127.99 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.266 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.41 114.32 24.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.215 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.14 135.56 54.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.874 0.368 . . . . 0.0 110.981 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 8.7 tm-20 -92.33 105.34 17.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 t -125.67 -170.53 2.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' B' ' 93' ' ' ASN . 68.3 mt -51.22 -56.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -88.12 -4.34 58.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -172.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.17 -151.16 23.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.419 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -98.59 125.71 51.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -94.99 118.22 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.441 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.872 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 15.0 m -98.65 106.09 18.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 53.0 mt -95.31 118.68 42.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.516 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -116.6 139.63 50.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.496 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 170.99 -149.89 13.07 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.21 176.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 11.9 tp10 -124.66 134.75 52.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HD3' ' HD3' ' A' ' 23' ' ' ARG . 47.9 tttm 57.2 61.31 2.59 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.589 0.555 . . . . 0.0 110.892 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 42' ' ' ILE . 7.9 mp -89.14 73.16 8.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.359 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.897 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.864 179.275 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.722 -0.151 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -126.73 136.97 53.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.791 -0.241 . . . . 0.0 110.385 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.21 121.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.097 0.475 . . . . 0.0 110.934 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 50.7 mt-10 -111.19 123.0 49.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.472 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.54 144.51 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.966 0.412 . . . . 0.0 110.852 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -120.54 144.92 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.714 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.29 -179.89 35.51 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.648 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.552 HD23 ' HB3' ' A' ' 22' ' ' ASN . 3.4 mp -92.2 85.13 5.36 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 ' HE2' ' B' ' 152' ' ' TYR . 6.1 pt -68.9 141.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.123 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.58 -48.51 4.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.152 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -161.71 163.31 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.374 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' HD2' ' B' ' 152' ' ' TYR . 86.3 mt -125.48 133.55 52.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.872 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.2 t -114.82 111.84 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.941 0.401 . . . . 0.0 110.274 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.55 ' HA ' HD13 ' A' ' 47' ' ' ILE . 17.7 p30 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -83.26 135.43 34.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.943 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -113.68 142.84 45.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.171 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -103.25 112.89 25.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 43.2 tp -105.0 120.67 42.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.598 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 22.7 t -121.65 122.68 40.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.733 176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 22.4 tp -134.65 136.28 42.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.158 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HB3' ' B' ' 140' ' ' GLN . 74.5 p -98.9 171.82 7.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.17 11.54 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.9 117.66 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -114.01 -28.57 7.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.533 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.585 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 61.6 tttm -148.45 129.9 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.02 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.95 114.8 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -102.08 -17.74 15.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.827 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.535 ' HB3' ' HB2' ' B' ' 114' ' ' LEU . 39.3 t -164.9 136.19 4.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -140.25 104.0 4.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.21 0.529 . . . . 0.0 110.637 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -133.39 143.01 46.27 Favored Pre-proline 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.67 0.81 0.67 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.345 2.03 . . . . 0.0 113.753 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 39.7 mtpt -123.1 -9.84 8.16 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 0.6 OUTLIER -164.43 121.84 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.409 HG22 ' HG ' ' B' ' 115' ' ' LEU . 63.3 mt -127.44 127.73 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 107' ' ' SER . 91.4 mt -109.36 106.44 16.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.474 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 113' ' ' ILE . 91.2 mt -110.51 123.18 49.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 1.7 tm-20 -85.84 109.65 18.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.7 p -109.64 -178.41 3.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.045 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 12.8 mt -38.29 -57.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -170.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.52 14.64 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.9 170.86 44.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.164 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.91 126.18 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' B' ' 152' ' ' TYR . 56.6 tp -95.63 128.72 42.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.648 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.662 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 23.0 t -105.52 110.48 22.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.245 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.6 mt -102.16 110.4 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 89.2 mttt -112.91 144.53 42.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.654 0.264 . . . . 0.0 110.984 -173.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.46 -138.5 5.31 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.578 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 8.4 pt-20 -155.45 148.84 24.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.941 0.4 . . . . 0.0 111.283 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 59.01 40.08 22.69 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.702 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.427 HD21 HG22 ' B' ' 124' ' ' ILE . 9.8 mp -77.88 73.36 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.972 -176.884 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' B' ' 100' ' ' THR . 12.5 pt20 -123.47 152.1 42.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 110.937 -176.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -114.26 140.8 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.827 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.36 110.24 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.89 156.57 28.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -129.93 134.57 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.23 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 159.88 -161.22 32.2 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.105 -1.045 . . . . 0.0 112.587 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.93 86.94 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.463 HD12 HD21 ' B' ' 150' ' ' LEU . 17.5 pt -82.97 118.82 31.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 110.29 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.09 -35.88 12.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.287 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -148.27 140.24 23.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.322 0.582 . . . . 0.0 112.157 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.463 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -115.94 114.77 25.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.142 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.662 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 46.0 t -116.64 116.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 0.0 111.954 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.706 ' HE2' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.591 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 121.239 0.542 . . . . 0.0 109.547 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.73 111.55 10.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.519 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 94.1 mt-30 -99.69 141.64 32.22 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.737 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 26.9 m-85 -99.5 111.46 23.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 99' ' ' LEU . 53.6 tp -108.17 116.81 32.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 2.3 p -125.28 131.3 53.1 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' B' ' 96' ' ' PHE . 35.5 tp -136.78 153.52 50.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.697 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLY . 49.4 p -111.61 174.93 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.489 176.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.42 22.16 76.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.795 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 70' ' ' VAL . 57.1 t -81.74 130.94 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.4 m -90.12 -55.56 3.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -165.5 165.25 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.539 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.98 138.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.68 -48.74 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.73 0.3 . . . . 0.0 110.656 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 p -134.6 118.37 17.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.449 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -96.04 102.49 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 0.0 110.345 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.6 m-20 -134.33 136.38 25.78 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.082 173.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 12.5 Cg_exo -70.95 17.02 0.27 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.991 2.461 . . . . 0.0 113.223 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -135.32 -31.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.656 0.265 . . . . 0.0 110.862 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 39.7 tt0 -146.73 108.68 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.2 mt -107.63 128.69 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.548 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.23 101.78 11.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.926 0.393 . . . . 0.0 110.167 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.12 123.18 36.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.436 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -91.83 125.05 36.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 0.0 109.786 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -123.81 -163.35 1.13 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.868 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.8 93.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 122.762 0.425 . . . . 0.0 111.6 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 65.0 17.34 11.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.558 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA3' ' OH ' ' A' ' 81' ' ' TYR . . . -149.43 172.62 29.42 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.5 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -132.73 129.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.681 0.276 . . . . 0.0 110.363 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.3 tp -105.22 122.44 45.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.748 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.9 m -97.87 114.79 26.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.707 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.0 mm -101.46 115.86 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.433 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 46.1 tttp -123.32 134.87 54.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.06 -152.72 20.71 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.124 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -117.99 134.98 54.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.722 0.296 . . . . 0.0 111.018 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.44 63.77 1.77 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -84.71 73.33 10.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.777 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.473 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.382 175.098 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' THR . . . . . . . . 0 C--O 1.227 -0.283 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -86.95 127.89 35.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.477 HG12 HG21 ' A' ' 31' ' ' VAL . 12.0 p -130.53 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 37.4 mt-10 -125.87 122.03 34.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.591 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.1 t -107.4 126.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.37 124.49 51.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.18 -173.59 44.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 118.82 -1.657 . . . . 0.0 113.669 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 22' ' ' ASN . 16.3 mt -91.29 67.79 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.595 HD12 HD21 ' A' ' 79' ' ' LEU . 22.1 pt -70.43 142.07 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.305 0.574 . . . . 0.0 110.977 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -118.4 -39.93 2.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -134.48 135.1 42.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.065 0.459 . . . . 0.0 111.463 -177.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 76' ' ' ILE . 4.4 mm? -116.17 124.78 51.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.538 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.748 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 46.4 t -126.58 133.96 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.803 0.335 . . . . 0.0 111.382 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 5.4 t80 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -80.0 117.74 21.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -99.69 159.74 14.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.953 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 84.7 m-85 -98.02 112.53 24.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.337 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.3 tp -108.56 106.69 16.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.91 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.59 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 0.4 OUTLIER -120.0 122.98 42.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.691 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.56 HD13 HD13 ' A' ' 26' ' ' LEU . 14.1 tp -134.54 138.32 44.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.613 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 71.4 p -100.95 174.92 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 24' ' ' GLN . . . 84.57 16.08 66.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.819 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.451 HG11 HD22 ' B' ' 115' ' ' LEU . 67.6 t -92.02 121.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 20.0 m -93.74 -39.14 10.92 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.732 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -159.46 145.33 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.64 0.257 . . . . 0.0 110.641 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.29 107.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.36 -55.25 9.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.183 0.516 . . . . 0.0 110.498 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 37.2 t -132.7 123.88 27.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.826 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -113.8 106.47 14.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.033 0.444 . . . . 0.0 111.302 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -133.04 139.79 35.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -53.79 -14.62 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.973 2.448 . . . . 0.0 114.26 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -109.29 -5.56 15.84 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.099 -0.376 . . . . 0.0 111.839 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.537 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 32.6 tt0 -171.12 123.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.952 0.406 . . . . 0.0 111.266 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.28 127.34 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.036 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.17 107.06 19.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.419 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.451 HD22 HG11 ' B' ' 102' ' ' VAL . 85.6 mt -100.18 111.18 23.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.731 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.13 122.5 25.7 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.6 p -113.89 178.53 4.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.32 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.53 -46.99 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.08 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.82 30.88 2.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.442 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLY . . . . . 0.665 ' HA3' ' HE1' ' B' ' 152' ' ' TYR . . . -174.92 -167.65 34.49 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.745 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.3 t -135.58 120.75 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.0 tp -96.99 118.91 34.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.01 0.433 . . . . 0.0 110.173 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.655 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 43.5 t -94.73 111.19 22.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.343 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 9.2 mm -91.81 110.18 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.467 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 65.1 mttm -108.67 142.2 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 166.33 -139.38 5.73 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.015 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 58.66 49.4 10.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.916 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.14 71.88 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.128 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.579 -172.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 110.004 -1.239 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -125.86 133.32 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.817 -0.691 . . . . 0.0 109.878 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -107.51 141.86 21.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.184 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -124.97 106.69 10.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.65 120.26 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.91 124.16 51.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.03 -160.5 32.56 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.284 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.38 114.97 27.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.33 136.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -102.13 -51.7 3.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -154.42 153.36 31.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.236 0.541 . . . . 0.0 111.713 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.423 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 mm? -116.53 116.76 28.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.68 175.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 89.6 t -116.1 124.16 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.945 0.402 . . . . 0.0 110.82 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.665 ' HE1' ' HA3' ' B' ' 120' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.319 -0.732 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.763 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 31.5 mtp-105 -93.24 104.1 16.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.5 173.32 8.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.329 0.585 . . . . 0.0 111.751 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.982 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 85.6 t80 -120.22 129.02 53.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.366 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 60.2 tp -129.08 133.37 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.22 -173.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 21.2 t -131.98 137.4 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.518 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -139.79 149.02 43.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.532 HG22 ' HB2' ' A' ' 69' ' ' GLN . 77.3 p -113.34 159.94 18.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.48 5.85 68.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.278 -0.486 . . . . 0.0 112.3 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.469 HG21 HG12 ' A' ' 70' ' ' VAL . 38.9 t -65.08 128.85 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.0 110.506 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -101.92 -48.67 4.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.695 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -150.64 147.18 27.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 111.266 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.6 t -89.58 108.53 19.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -67.4 -59.56 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.189 0.519 . . . . 0.0 110.64 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -130.11 130.12 44.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.235 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -117.51 104.38 11.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.069 0.462 . . . . 0.0 111.269 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.33 141.78 41.79 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -57.41 -13.4 13.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.847 2.365 . . . . 0.0 113.927 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -108.99 -12.19 14.89 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 40.2 tt0 -162.56 122.07 2.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.197 0.522 . . . . 0.0 111.069 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.98 129.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.304 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 52' ' ' SER . 77.7 mt -99.1 105.83 17.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.967 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.41 107.94 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.655 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 1.5 tm-20 -84.48 110.59 18.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -115.73 145.66 42.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.708 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt 45.51 -81.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 123.833 0.708 . . . . 0.0 112.79 -170.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -151.22 23.88 0.73 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.646 0.736 . . . . 0.0 109.545 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.49 141.16 11.45 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.001 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 22.2 t -94.72 122.14 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 111.106 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 80' ' ' VAL . 57.4 tp -96.37 131.37 42.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.862 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HD23 ' A' ' 43' ' ' LEU . 32.7 t -99.51 112.14 24.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.084 0.468 . . . . 0.0 110.958 -177.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.6 mm -101.07 113.72 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.627 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 4.3 ttmp? -114.29 139.26 49.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.467 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 75' ' ' LEU . . . 175.73 -138.87 4.39 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.392 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -156.17 146.56 21.62 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HB2' ' HE3' ' A' ' 57' ' ' LYS . 15.3 ttmt 61.55 38.9 15.28 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.4 75.95 0.55 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.139 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.334 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 177.098 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.318 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 29' ' ' THR . 56.2 tt0 -121.69 140.92 51.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 HG21 ' A' ' 31' ' ' VAL . 11.2 p -135.74 140.37 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.713 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -136.97 130.76 32.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.107 0.479 . . . . 0.0 110.835 177.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.67 168.29 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.988 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.79 51.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.429 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 23' ' ' ARG . . . 159.97 -170.84 36.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.085 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 57.4 mt -83.42 111.2 18.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.12 109.84 25.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.234 0.54 . . . . 0.0 110.442 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.32 -51.76 8.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.929 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -137.08 147.88 46.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.671 -174.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 0.2 OUTLIER -132.54 112.44 12.09 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.458 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD12 ' A' ' 51' ' ' LEU . 48.3 t -124.96 112.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 111.669 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.455 ' HB3' ' N ' ' B' ' 150' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -77.34 95.23 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 109.771 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.407 ' OE1' HD11 ' B' ' 147' ' ' ILE . 88.2 mt-30 -95.98 152.0 18.92 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.81 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' B' ' 144' ' ' GLU . 10.5 m-85 -106.92 112.03 24.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -100.75 107.79 19.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.344 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 23.3 t -104.8 113.84 27.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.765 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 41.6 tp -115.47 134.06 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.804 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.982 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 86.9 m -127.05 121.26 31.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.26 31.18 1.74 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -90.9 124.87 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.7 m -75.13 -46.87 31.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.003 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -168.63 164.72 12.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.928 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -100.41 140.12 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.632 0.253 . . . . 0.0 110.375 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 82.4 mt-30 -96.23 -34.46 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.0 110.091 177.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.4 t -161.72 130.68 4.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -119.24 105.1 11.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.93 153.84 76.28 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.653 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.32 7.79 1.07 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.736 2.29 . . . . 0.0 113.629 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 129' ' ' LEU . 63.7 mttt -134.26 -31.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 20.8 mt-10 -135.31 115.6 13.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 111.054 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.12 124.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.82 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.18 101.3 12.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.77 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.11 109.66 21.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.697 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 36.0 tt0 -79.96 106.4 11.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.6 p -93.06 -177.23 4.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.932 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -44.45 -47.31 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 124.059 0.849 . . . . 0.0 112.06 -171.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -145.01 48.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.283 0.563 . . . . 0.0 110.105 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -172.59 -173.18 38.96 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.654 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 59.9 t -138.98 120.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -96.15 111.83 23.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.3 m -91.74 110.24 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 51.2 mt -93.86 116.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' B' ' 112' ' ' GLU . 32.5 tptt -113.23 127.79 56.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.03 -148.27 10.3 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.824 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 146' ' ' LEU . 65.4 mm-40 -127.85 137.35 52.31 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.984 0.514 . . . . 0.0 110.386 -176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.2 mttm 58.74 54.74 5.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.089 172.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -78.11 72.6 4.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.506 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.878 -176.248 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 112.959 -0.056 . . . . 0.0 112.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.57 ' HG2' HG23 ' B' ' 100' ' ' THR . 44.7 mt-30 -112.32 110.47 20.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.616 0.245 . . . . 0.0 110.383 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.8 p -137.05 134.34 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.0 111.356 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -119.5 112.54 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.535 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.6 t -102.57 138.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.438 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' B' ' 96' ' ' PHE . 52.7 mt-10 -118.27 125.03 49.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.655 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.94 -163.53 37.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.107 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 40.9 mt -99.62 93.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.407 HD11 ' OE1' ' B' ' 95' ' ' GLN . 22.1 pt -82.98 115.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.537 0.684 . . . . 0.0 110.675 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.3 -40.34 21.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.25 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.03 163.79 39.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.804 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.455 ' N ' ' HB3' ' A' ' 81' ' ' TYR . 94.7 mt -137.05 124.43 21.97 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.1 t -109.85 109.61 29.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.191 0.519 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 3.3 t80 . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.523 ' HA ' HD13 ' B' ' 118' ' ' ILE . 6.3 t30 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.19 121.33 19.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.218 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -97.88 148.8 23.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.807 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 27.8 m-85 -106.32 111.21 23.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB3' HG22 ' A' ' 72' ' ' VAL . 43.3 tp -96.44 113.38 24.95 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.223 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 32.3 m -113.86 113.4 24.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.838 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD13 HD13 ' B' ' 97' ' ' LEU . 26.7 tp -133.91 137.17 44.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 p -100.59 156.07 17.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.14 47.93 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.916 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 HG12 ' A' ' 70' ' ' VAL . 48.6 t -66.95 115.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 109.804 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 m -94.3 -39.44 10.5 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -169.72 163.73 9.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -100.95 138.7 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -96.48 -37.56 10.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -154.47 122.64 6.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -108.47 104.63 14.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 0.0 111.213 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -123.16 142.7 39.06 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.0 Cg_exo -64.96 -11.66 30.79 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.107 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -104.4 -19.27 14.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.877 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.9 tt0 -168.85 121.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.564 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.2 mt -114.81 130.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.693 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.41 102.14 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.75 123.31 42.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.51 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.78 118.1 27.07 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.389 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -101.05 -164.45 1.11 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.41 89.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 O-C-N 123.466 0.479 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 54.96 43.59 29.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.997 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.52 173.58 34.3 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.0 t -134.16 115.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 117.346 0.573 . . . . 0.0 110.861 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 60.5 tp -99.33 113.54 25.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.84 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -90.18 116.5 28.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -103.16 110.59 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 59.4 tttp -110.02 138.89 45.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 166.54 -145.82 10.32 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.192 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -137.62 139.42 40.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.911 0.355 . . . . 0.0 111.466 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt 61.14 52.79 3.83 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.732 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.27 73.04 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.854 -178.878 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.677 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -144.16 144.23 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG12 HG21 ' A' ' 31' ' ' VAL . 10.4 p -141.91 137.05 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 0.0 110.621 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -123.3 106.47 10.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' A' ' 26' ' ' LEU . 35.3 m -109.19 144.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.944 0.402 . . . . 0.0 111.626 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.68 170.78 42.28 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.353 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.3 mt -83.12 77.31 9.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.448 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.3 pt -77.39 143.51 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.826 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.59 -58.84 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.993 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -122.04 138.41 54.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.695 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.25 114.84 24.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 171.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.84 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 45.8 t -112.96 113.49 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.966 0.412 . . . . 0.0 111.316 -175.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' HB3' ' HB2' ' B' ' 150' ' ' LEU . 4.0 t80 . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.545 ' HB3' HD12 ' B' ' 146' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.431 0.158 . . . . 0.0 110.75 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -60.36 129.7 42.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -128.73 147.59 50.78 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -100.62 123.61 45.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.801 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 28' ' ' LEU . 60.3 tp -118.29 122.55 43.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.857 0.361 . . . . 0.0 110.728 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 11.3 t -122.56 126.94 48.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.937 177.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.495 HD21 HG21 ' B' ' 117' ' ' THR . 15.5 tp -124.73 142.71 51.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.035 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 174.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.68 29.56 42.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.754 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.06 117.6 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -77.17 -48.63 17.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.719 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -171.54 173.21 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.966 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.03 136.32 31.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.361 . . . . 0.0 110.658 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 27.0 mt-30 -89.71 -50.7 5.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.329 0.585 . . . . 0.0 110.31 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m -140.94 126.53 18.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.923 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -112.32 105.48 13.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 0.0 110.269 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 14.5 t70 -130.32 136.85 29.63 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.208 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 34.4 Cg_exo -59.88 -14.59 28.2 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.858 2.372 . . . . 0.0 113.435 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -105.59 -16.61 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.424 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.626 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 39.2 tt0 -165.8 115.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.056 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.4 mt -108.88 136.22 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt -111.1 107.36 16.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.477 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 92.2 mt -94.68 129.09 41.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.767 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.569 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.5 tm-20 -94.39 106.78 18.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.495 HG21 HD21 ' B' ' 99' ' ' LEU . 64.4 p -107.08 -178.58 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.506 -173.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 22' ' ' ASN . 63.2 mt -22.97 -64.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.13 1.372 . . . . 0.0 113.674 -177.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -142.48 27.27 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.342 0.591 . . . . 0.0 109.662 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.83 -171.54 19.72 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.338 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.49 143.33 40.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.605 HD13 ' CD2' ' B' ' 152' ' ' TYR . 32.7 tp -118.94 121.92 41.06 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.565 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.5 m -101.59 111.84 24.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.585 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 6.5 mm -97.45 110.88 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -112.51 132.62 55.0 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.742 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.85 -143.79 7.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.6 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -134.25 139.14 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.594 0.235 . . . . 0.0 110.868 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 49.19 62.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.605 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.25 72.68 10.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.676 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.672 -179.596 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -125.89 140.91 52.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 98' ' ' SER . 93.0 t -132.68 143.9 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.346 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -130.55 119.53 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.82 141.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.87 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.38 139.7 51.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.76 -162.99 35.44 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.147 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' B' ' 93' ' ' ASN . 2.2 mm? -92.94 85.17 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 33.0 pt -80.16 140.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.66 -48.65 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -133.03 144.84 50.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 0.0 112.086 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 81' ' ' TYR . 3.0 mm? -123.95 124.19 42.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.932 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.6 t -126.62 127.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.605 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.409 0.623 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -93.86 142.31 27.52 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.776 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -119.17 143.34 47.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -97.73 112.82 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -99.73 109.36 21.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 19.5 m -110.21 110.84 21.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.879 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 51' ' ' LEU . 50.2 tp -126.66 135.4 51.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 p -97.93 -179.04 4.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 32.19 83.39 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.637 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' HA ' HG22 ' A' ' 46' ' ' THR . 43.5 t -97.34 116.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.749 0.309 . . . . 0.0 110.333 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -75.12 -47.38 28.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.832 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -169.55 150.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.15 119.69 32.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 91.2 mt-30 -73.8 -45.3 52.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.603 0.716 . . . . 0.0 110.147 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.9 t -138.39 127.7 24.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.409 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -120.87 104.16 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 40' ' ' LYS . 19.0 t70 -130.58 147.59 66.62 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.33 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 38' ' ' ASP . 9.4 Cg_endo -51.5 -12.79 1.09 Allowed 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.574 2.849 . . . . 0.0 114.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 40' ' ' LYS . 10.7 ptpt -140.19 13.64 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.35 -0.54 . . . . 0.0 112.388 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -156.47 120.7 4.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.619 0.247 . . . . 0.0 110.436 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 53' ' ' ILE . 71.7 mt -134.7 117.63 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.602 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.9 mt -102.03 106.21 17.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.373 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 51' ' ' LEU . 85.2 mt -93.72 110.39 22.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.064 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 3.1 tm-20 -81.13 106.15 12.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 31' ' ' VAL . 59.0 p -111.75 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.0 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -33.03 -56.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.323 1.015 . . . . 0.0 113.56 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -140.14 37.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 111.509 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.36 162.02 21.93 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.716 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.06 130.06 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 110.548 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 44' ' ' LEU . 51.4 tp -94.94 117.18 29.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.767 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' HD23 ' A' ' 43' ' ' LEU . 14.3 m -92.09 106.18 18.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.31 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 55.8 mt -97.07 120.29 46.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.277 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -123.38 135.94 54.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.697 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 172.59 -149.95 12.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.059 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -135.59 145.49 46.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 122.326 0.25 . . . . 0.0 110.674 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.78 44.23 8.84 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.502 0.501 . . . . 0.0 111.727 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 10.3 mp -76.74 73.11 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.468 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.219 -179.019 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -153.42 141.98 20.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.718 -0.284 . . . . 0.0 110.63 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.09 132.75 70.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.231 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.88 107.22 9.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 p -130.01 147.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.653 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -115.39 144.23 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.258 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.67 38.95 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.301 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -96.05 72.86 2.96 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 13.0 pt -78.53 131.8 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.544 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 15.0 m-20 -97.08 -40.04 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.807 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.32 134.15 35.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 112.14 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 84.0 mt -121.38 113.97 20.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 172.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' HD12 ' A' ' 51' ' ' LEU . 61.9 t -117.29 115.5 48.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.712 0.291 . . . . 0.0 111.483 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -69.52 130.8 43.46 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.233 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -115.49 143.9 44.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -102.0 112.85 25.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.7 tp -113.41 125.87 54.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.921 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 30.5 t -124.04 122.12 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.376 175.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.01 138.87 52.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.494 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HG2' ' B' ' 140' ' ' GLN . 65.5 p -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.349 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 9.27 68.54 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.79 139.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.769 0.318 . . . . 0.0 110.248 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.7 p -114.86 -39.56 3.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' B' ' 116' ' ' GLU . 58.3 mttp -140.12 150.84 44.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.41 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 114' ' ' LEU . 12.3 mm100 -63.89 -58.34 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' B' ' 114' ' ' LEU . 11.9 p -156.65 117.94 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -91.28 107.91 19.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 18.7 t70 -130.78 133.15 24.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.389 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' B' ' 129' ' ' LEU . 24.2 Cg_exo -66.37 14.1 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.248 2.632 . . . . 0.0 113.86 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.24 -34.22 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.988 0.423 . . . . 0.0 110.052 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 109' ' ' ASP . 45.4 tt0 -139.25 103.25 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 66.4 mt -93.87 114.09 29.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.214 0.53 . . . . 0.0 109.929 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.414 ' HB2' ' OG ' ' B' ' 107' ' ' SER . 81.6 mt -105.18 116.58 32.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.303 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.539 ' H ' HD13 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -132.77 151.08 52.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.366 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' B' ' 104' ' ' LYS . 26.0 tt0 -101.32 127.1 48.09 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 119' ' ' GLN . 5.2 t -123.53 146.62 47.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 47.41 -79.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 117' ' ' THR . 20.0 tt0 -148.75 11.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.495 . . . . 0.0 110.682 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.53 151.61 20.92 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.318 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 42.7 t -93.15 129.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 tt -106.43 146.29 30.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.667 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.693 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 30.2 t -115.66 120.34 39.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 111.404 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.3 mt -104.78 115.42 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.11 135.48 54.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.839 0.352 . . . . 0.0 111.437 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 171.95 -154.71 22.31 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.056 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -120.77 140.18 52.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 51.5 tttm 54.96 63.4 2.14 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.441 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 110' ' ' PRO . 10.5 mp -82.39 72.53 9.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.723 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.119 -174.015 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' B' ' 100' ' ' THR . 73.9 mt-30 -131.71 136.32 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 8.5 p -139.87 129.98 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.298 0.57 . . . . 0.0 111.955 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -111.75 142.9 43.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.934 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 12.7 p -143.56 146.23 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.567 0.222 . . . . 0.0 110.825 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -121.58 131.49 54.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 160.67 -178.97 36.46 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.21 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 146' ' ' LEU . 4.1 mp -87.98 74.1 9.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.05 0.452 . . . . 0.0 110.017 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.8 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 31.8 pt -74.29 132.95 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.422 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.12 -24.52 14.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.09 148.3 25.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.488 0.661 . . . . 0.0 112.134 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.459 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 96.9 mt -124.65 120.15 31.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.322 172.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.5 t -113.14 116.37 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.089 0.471 . . . . 0.0 111.62 -173.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.425 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HB2' HD22 ' A' ' 75' ' ' LEU . 33.2 m-80 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.988 0.423 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -88.92 99.97 12.82 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.742 0.782 . . . . 0.0 109.989 -177.77 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 76' ' ' ILE . 78.1 mt-30 -95.05 155.13 16.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.05 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.23 111.68 23.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.0 tp -99.79 107.84 19.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.024 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 15.9 m -110.27 122.81 48.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.937 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 29' ' ' THR . 45.2 tp -137.95 159.79 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.087 0.47 . . . . 0.0 110.624 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.46 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -130.18 159.35 37.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.416 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.06 33.02 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.35 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.427 HG11 HD22 ' A' ' 44' ' ' LEU . 59.1 t -90.82 123.76 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -98.38 -33.99 10.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 24.5 ttmt -157.4 153.09 26.66 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.865 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -104.69 121.25 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.29 -49.75 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -147.46 138.12 23.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.721 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -120.34 105.13 10.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.247 0.546 . . . . 0.0 111.059 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -133.91 142.07 42.11 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.82 -10.42 5.47 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.079 2.519 . . . . 0.0 113.413 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -95.6 -31.3 13.35 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 33.6 tt0 -158.97 125.59 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 -174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.5 121.55 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.001 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.94 105.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.553 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 31' ' ' VAL . 94.5 mt -97.75 118.03 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 31.2 tt0 -79.92 112.87 17.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 p -99.69 173.55 6.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.374 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -35.55 -55.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.377 1.048 . . . . 0.0 111.804 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -139.96 72.42 1.4 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.288 0.566 . . . . 0.0 109.644 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.17 -169.38 36.73 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.635 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.3 t -139.03 126.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 tp -96.96 111.18 23.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.713 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 41.3 t -90.39 101.76 14.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.711 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 46.2 mt -89.58 110.39 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -108.73 137.75 46.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 169.82 -138.34 4.98 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.306 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.601 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 25.0 tt0 -157.59 152.29 25.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 34.7 mmtp 65.8 29.64 10.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.595 0.236 . . . . 0.0 110.473 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD21 HG22 ' A' ' 53' ' ' ILE . 8.3 mp -70.49 73.24 0.52 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.611 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.872 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.052 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 112.825 -0.11 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -113.84 124.2 51.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 72' ' ' VAL . 11.3 p -118.58 134.85 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.007 0.432 . . . . 0.0 111.075 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.64 106.28 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.55 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG23 HG22 ' A' ' 70' ' ' VAL . 59.5 t -117.24 126.0 74.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.653 0.263 . . . . 0.0 110.609 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -115.48 125.79 53.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 172.99 -175.45 45.93 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.923 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 22' ' ' ASN . 42.0 mt -87.3 83.8 7.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.492 HD11 ' OE1' ' A' ' 24' ' ' GLN . 39.4 pt -72.54 145.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.29 0.567 . . . . 0.0 110.587 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.454 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 35.2 t70 -113.11 -45.81 3.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.477 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.66 163.45 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 87.9 mt -131.07 125.74 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 59.5 t -117.28 128.08 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.603 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.434 ' N ' HD21 ' B' ' 93' ' ' ASN . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -77.84 89.81 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -89.89 146.4 24.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.98 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.97 112.19 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.686 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.7 107.27 18.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.35 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 14.9 m -104.42 122.99 46.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.177 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 122' ' ' LEU . 36.0 tp -127.7 132.92 49.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -109.45 125.58 52.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.107 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.55 4.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.172 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.432 HG11 HD22 ' B' ' 115' ' ' LEU . 27.6 t -84.36 144.02 10.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -106.6 -47.8 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.656 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -149.78 146.63 27.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.19 119.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 171.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -77.47 -41.8 38.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.431 . . . . 0.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -150.96 132.9 15.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.816 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -116.96 105.81 12.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.221 0.534 . . . . 0.0 110.267 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.35 140.71 36.87 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.61 -16.9 11.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.777 2.318 . . . . 0.0 113.522 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -118.74 1.39 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.585 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 36.5 tt0 -163.34 120.62 1.86 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.066 0.46 . . . . 0.0 111.7 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.457 HG13 HD23 ' B' ' 129' ' ' LEU . 62.0 mt -116.59 125.11 73.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 94.3 mt -103.33 104.2 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.461 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.485 HD12 HD23 ' B' ' 122' ' ' LEU . 93.3 mt -98.82 115.52 28.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.091 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.77 116.16 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.3 t -124.26 -177.75 3.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.76 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.633 HG22 ' HG3' ' B' ' 119' ' ' GLN . 41.2 mt -34.25 -68.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.027 1.331 . . . . 0.0 113.474 -171.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.633 ' HG3' HG22 ' B' ' 118' ' ' ILE . 77.0 mt-30 -129.55 49.28 2.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.736 0.303 . . . . 0.0 110.73 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.87 -169.6 40.89 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.459 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.0 140.23 48.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 99' ' ' LEU . 59.6 tp -104.13 114.9 29.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.519 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.6 t -98.78 104.55 16.61 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 24.8 mt -95.23 115.8 35.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.23 140.39 47.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.29 -137.07 4.65 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 156.72 34.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 65.21 32.51 9.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 0.0 110.439 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.457 HD23 HG13 ' B' ' 113' ' ' ILE . 7.9 mp -74.26 75.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.756 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.215 178.145 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -112.11 110.33 20.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 15.0 p -113.16 141.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.064 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -130.75 106.38 8.42 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.18 126.57 56.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 -175.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -113.6 129.32 56.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.599 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.29 38.59 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.532 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 62.3 mt -89.11 86.56 6.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.53 124.38 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.275 0.56 . . . . 0.0 110.646 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -94.8 -47.53 6.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.793 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -150.13 145.51 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.944 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.401 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 4.3 mm? -116.15 127.51 54.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.753 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.0 t -123.47 123.98 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.077 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 17.5 t80 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.519 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 65.1 mtt180 67.34 94.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.346 0.593 . . . . 0.0 109.935 -171.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -106.08 157.89 17.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.98 112.55 24.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.73 109.38 20.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.74 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 m -116.62 131.25 57.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.238 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -140.71 137.6 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.665 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -105.85 148.02 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.787 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 -9.39 33.33 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.701 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.26 129.58 22.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -91.65 -43.98 9.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -166.24 170.6 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.4 t -102.77 129.15 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.889 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -84.89 -57.88 2.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.138 0.494 . . . . 0.0 110.528 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -124.97 132.16 53.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.69 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -123.58 105.33 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 111.133 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -132.73 140.8 38.88 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.15 -6.79 4.09 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.078 2.519 . . . . 0.0 113.62 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.53 0.3 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.81 105.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.819 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.89 132.44 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' SER . 92.5 mt -109.57 104.61 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.489 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 70' ' ' VAL . 93.3 mt -92.99 120.01 32.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.781 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.83 115.1 27.62 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -123.65 -168.57 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.776 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.18 105.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 112.172 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 61.97 18.98 10.37 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.986 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 157.31 28.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -121.04 125.31 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 58.7 tp -96.38 109.81 22.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.835 0.35 . . . . 0.0 110.239 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.633 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.7 t -89.26 103.49 16.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.116 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.2 mt -95.31 116.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.484 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -126.53 143.59 51.15 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.102 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 164.02 -137.78 4.94 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.245 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 134.82 46.16 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.442 0.297 . . . . 0.0 110.99 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 56.59 60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.776 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.55 72.04 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.644 -178.112 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -141.19 125.07 17.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 HD22 ' A' ' 44' ' ' LEU . 80.3 t -108.04 138.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.52 106.57 6.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.409 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.45 136.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.98 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -120.74 125.55 47.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.461 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 163.49 -166.22 37.12 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.135 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.2 mt -89.24 97.19 11.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -86.36 110.37 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.094 0.473 . . . . 0.0 110.26 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 1.1 m-20 -86.27 -39.35 16.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.27 161.36 42.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 111.471 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.452 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 96.9 mt -139.93 118.24 12.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.118 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -115.21 120.55 64.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 11.9 t80 . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -75.82 112.64 12.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -98.75 135.25 40.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.834 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.47 113.6 25.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.521 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.78 116.7 32.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 11.5 t -113.6 133.57 55.21 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.81 141.2 34.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.679 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 58.7 p -115.53 19.18 15.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -126.85 34.9 3.01 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.668 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 44.3 t -100.08 140.62 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -105.01 -40.28 5.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 39.9 ttmt -165.57 163.09 19.41 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.627 HG12 HD23 ' B' ' 115' ' ' LEU . 33.8 m -100.57 125.64 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.083 0.468 . . . . 0.0 110.13 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -79.75 -55.03 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.216 0.531 . . . . 0.0 110.032 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.1 m -130.8 118.61 21.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.051 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -105.26 105.72 15.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.87 140.43 37.66 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.14 -23.78 30.62 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.851 2.367 . . . . 0.0 113.854 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 30.4 mttp -102.83 -15.21 16.3 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 29.4 tt0 -161.75 117.3 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.198 0.523 . . . . 0.0 111.294 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.91 129.94 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.265 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -100.36 100.43 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.192 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.627 HD23 HG12 ' B' ' 105' ' ' VAL . 95.4 mt -89.14 118.74 29.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.113 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.62 103.93 12.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 57.3 p -84.66 -164.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 118' ' ' ILE . 37.3 mt -56.29 91.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.454 0.471 . . . . 0.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 62.23 10.93 4.1 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.482 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.94 -172.86 13.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.99 132.18 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.65 0.262 . . . . 0.0 110.473 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 66.2 tp -115.02 116.09 27.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.718 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.5 t -90.31 112.91 24.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 0.0 110.31 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -92.55 116.0 32.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -113.01 138.26 50.15 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.276 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.733 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 160.94 -163.61 34.33 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.508 ' HG3' ' HE3' ' B' ' 111' ' ' LYS . 4.0 mp0 -117.08 144.32 44.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.884 0.342 . . . . 0.0 110.687 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 57.31 50.25 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.012 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.12 72.1 1.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.257 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.872 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.757 -178.846 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 70.2 mt-30 -105.41 117.33 33.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.0 p -118.95 151.74 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 0.0 110.951 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -139.37 110.76 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.47 131.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.714 0.292 . . . . 0.0 110.663 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.13 131.72 56.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.2 -174.26 46.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.777 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.4 71.4 3.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.733 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 14.4 pt -75.15 134.52 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.441 0.638 . . . . 0.0 111.834 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.53 -29.76 11.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.887 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' ALA . . . . . 0.487 ' C ' HD22 ' B' ' 150' ' ' LEU . . . -156.91 160.8 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 112.837 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.525 HD21 HD12 ' B' ' 147' ' ' ILE . 3.8 mm? -136.06 118.04 15.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.564 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 53.7 t -117.13 113.33 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.943 0.402 . . . . 0.0 111.32 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.452 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 79.9 mtt180 -73.89 108.33 6.64 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.793 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HB2' HD11 ' A' ' 76' ' ' ILE . 80.1 mt-30 -106.95 143.42 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.656 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.72 112.6 24.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -107.43 133.61 51.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.653 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.699 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 32.2 t -132.72 117.05 17.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 tp -124.66 132.42 53.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 69' ' ' GLN . 30.4 p -101.65 122.76 44.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.4 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.17 27.73 1.79 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.05 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 44' ' ' LEU . 61.2 t -94.07 128.15 45.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -100.53 -17.38 17.13 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -169.0 153.59 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.804 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 m -103.94 109.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 24.2 mt-30 -69.9 -55.0 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -174.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 m -133.94 119.74 19.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.013 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -93.33 105.41 17.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.265 0.555 . . . . 0.0 110.035 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.547 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 14.6 t70 -131.21 132.98 24.05 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 26.6 Cg_exo -62.89 -9.67 17.44 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.793 2.329 . . . . 0.0 113.453 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -117.95 -1.99 11.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 111.269 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 44.2 tt0 -168.26 108.1 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.192 0.52 . . . . 0.0 111.498 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 HD23 ' A' ' 58' ' ' LEU . 65.9 mt -104.27 122.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.187 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -94.95 106.46 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 91.6 mt -91.49 122.53 34.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 43.7 tt0 -94.07 116.08 28.47 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -106.76 178.24 4.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.537 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.62 HG13 ' H ' ' A' ' 48' ' ' GLN . 8.2 pt -30.51 -57.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 124.669 1.231 . . . . 0.0 113.033 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' H ' HG13 ' A' ' 47' ' ' ILE . 24.6 mm-40 -147.8 58.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.355 0.598 . . . . 0.0 110.339 173.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.19 -179.71 41.89 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.923 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.84 121.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 59.3 tp -96.39 107.58 19.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.719 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -89.2 103.15 15.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 50.4 mt -89.59 114.16 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -109.58 144.99 37.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.62 -146.94 14.73 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.891 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -141.15 154.14 45.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.664 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 11.0 tmtt? 60.77 49.14 6.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.628 0.728 . . . . 0.0 109.04 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG13 ' A' ' 42' ' ' ILE . 7.9 mp -80.7 72.14 7.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.379 0.609 . . . . 0.0 110.277 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.827 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.121 -178.597 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 113.211 0.044 . . . . 0.0 113.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.646 ' HG2' HG22 ' A' ' 29' ' ' THR . 59.4 mt-30 -87.58 134.36 33.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.76 0.314 . . . . 0.0 110.585 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.6 122.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.519 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.39 127.37 53.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.04 142.95 37.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.646 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -128.81 136.44 50.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.969 0.414 . . . . 0.0 110.432 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 154.58 -164.02 31.44 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.574 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.56 67.24 10.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 24' ' ' GLN . 25.2 pt -74.57 118.78 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.395 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -87.92 -55.68 3.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.096 -173.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.6 149.8 39.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.218 0.532 . . . . 0.0 111.56 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.558 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 79.9 mt -115.9 122.39 45.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.013 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.719 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 59.5 t -108.81 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.897 0.379 . . . . 0.0 110.692 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.367 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.56 ' N ' HD21 ' B' ' 93' ' ' ASN . 0.7 OUTLIER . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -81.72 93.2 6.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.259 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.91 141.67 28.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.973 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -98.0 116.71 30.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.7 tp -109.66 110.81 21.96 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.699 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 15.4 m -104.28 114.3 28.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.878 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.47 150.69 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.327 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.563 HG22 ' HG2' ' B' ' 140' ' ' GLN . 3.3 p -125.21 158.25 34.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.895 176.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.05 58.74 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.686 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' B' ' 139' ' ' GLY . 57.8 t -58.8 106.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.153 0.501 . . . . 0.0 110.195 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -94.85 -27.1 15.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.547 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 87.9 tttt -158.9 155.24 27.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.638 0.256 . . . . 0.0 110.624 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.22 126.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -92.21 -59.74 2.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.979 0.418 . . . . 0.0 110.908 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -141.23 139.18 33.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.272 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -114.13 105.52 13.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 13.0 t70 -133.79 136.24 26.22 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 42.7 Cg_exo -58.45 -16.01 27.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.672 2.248 . . . . 0.0 113.477 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -108.63 -6.73 15.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 44.5 tt0 -165.21 113.38 1.01 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 111.278 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.522 HG12 HD23 ' B' ' 129' ' ' LEU . 41.0 mm -103.88 125.32 58.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 123' ' ' SER . 89.2 mt -102.14 107.18 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.055 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' B' ' 113' ' ' ILE . 96.1 mt -108.97 126.28 52.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 27.1 tt0 -87.25 104.65 16.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.2 t -94.5 -163.85 1.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.5 mt -52.44 93.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 61.68 21.24 12.0 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.058 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.65 160.76 28.61 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.107 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.07 125.34 73.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.199 0.5 . . . . 0.0 111.033 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' B' ' 152' ' ' TYR . 41.8 tp -95.99 126.19 41.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.793 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 42.2 t -101.44 106.24 17.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.82 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 57.6 mt -90.66 110.35 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.49 ' HE3' ' HB3' ' B' ' 149' ' ' ALA . 50.8 mtmt -105.44 125.55 51.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 176.07 -143.32 6.46 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.862 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.22 143.17 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 tttm 66.69 43.9 2.32 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.583 0.552 . . . . 0.0 110.647 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 113' ' ' ILE . 9.7 mp -73.96 73.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.64 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.212 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.788 -179.801 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 102' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.808 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.563 ' HG2' HG22 ' B' ' 100' ' ' THR . 56.0 mt-30 -138.44 136.03 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.415 HG12 HG21 ' B' ' 102' ' ' VAL . 12.8 p -148.81 136.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.142 0.496 . . . . 0.0 111.083 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.51 113.98 21.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.273 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 19.3 m -109.49 151.93 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.44 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.79 139.3 46.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.97 -170.88 41.61 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 60.0 mt -95.57 79.97 3.42 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.693 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 29.1 pt -87.87 139.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.029 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.55 -33.47 9.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.904 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' ALA . . . . . 0.49 ' HB3' ' HE3' ' B' ' 125' ' ' LYS . . . -161.13 151.07 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 112.14 -177.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.431 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 71.9 mt -118.97 132.21 56.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.346 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.793 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 58.7 t -109.72 111.47 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.788 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.599 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.38 177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HA ' HG21 ' B' ' 118' ' ' ILE . 7.5 m120 . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.3 ptm180 -88.76 137.81 31.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.791 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.55 149.05 43.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.099 -169.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.69 128.18 44.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD11 ' B' ' 97' ' ' LEU . 34.4 tp -115.7 115.81 26.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -113.71 122.3 46.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -131.65 142.23 49.8 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.778 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.6 p -113.76 150.79 32.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.873 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.1 39.95 6.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.921 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 70' ' ' VAL . 48.7 t -99.01 126.91 52.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.512 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -75.53 -51.44 12.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.91 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -172.93 170.95 4.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.101 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.47 117.13 46.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.214 0.531 . . . . 0.0 109.777 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -73.27 -59.2 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -125.74 117.5 23.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.561 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -107.11 106.25 16.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -130.34 139.78 36.66 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.92 -1.89 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.891 2.394 . . . . 0.0 113.748 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -131.97 1.95 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.26 -0.275 . . . . 0.0 111.507 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.14 102.67 1.12 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.147 0.498 . . . . 0.0 110.716 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.432 HG22 ' HG ' ' A' ' 44' ' ' LEU . 60.0 mt -107.22 117.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.996 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -101.35 99.51 9.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.077 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 70' ' ' VAL . 94.2 mt -95.15 125.56 39.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.08 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -88.99 116.12 27.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.621 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -114.94 -172.59 2.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.177 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.5 mt -32.56 -58.95 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.3 1.04 . . . . 0.0 113.644 -169.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -139.29 24.76 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.496 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 177.93 34.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.563 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.86 126.93 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -96.37 119.84 35.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.661 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 10.8 m -95.87 103.98 15.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.035 0.445 . . . . 0.0 110.548 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.485 HG22 HD21 ' A' ' 58' ' ' LEU . 48.4 mt -101.23 117.01 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.708 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -128.21 153.38 46.99 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.296 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.47 -144.83 10.81 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.116 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 54.1 mm-40 -118.08 135.28 54.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.192 0.197 . . . . 0.0 110.943 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.29 45.88 10.82 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 HG22 ' A' ' 53' ' ' ILE . 9.7 mp -74.58 72.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.05 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.402 -173.067 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -129.94 144.93 51.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG12 HG21 ' A' ' 31' ' ' VAL . 14.6 p -141.93 143.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.716 0.293 . . . . 0.0 110.416 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.51 106.04 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.007 0.432 . . . . 0.0 110.062 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.45 173.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -139.81 161.15 38.25 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.995 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.73 33.08 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.592 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 7.8 mt -95.61 76.4 3.28 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 pt -67.06 134.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.302 0.572 . . . . 0.0 111.034 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.37 -43.6 6.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.76 147.23 24.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.433 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.7 mt -116.27 117.81 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.661 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 57.4 t -114.42 118.77 59.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 111.348 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 4.3 t80 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 56.9 t30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.92 137.11 41.47 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -107.89 151.19 26.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.965 0.412 . . . . 0.0 110.945 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -104.29 112.28 25.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.075 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.506 ' HB3' ' CG1' ' B' ' 143' ' ' VAL . 55.7 tp -108.83 120.56 42.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.82 0.343 . . . . 0.0 110.219 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 19.0 m -108.14 115.63 30.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.217 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 tp -112.47 125.66 54.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.83 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 61.7 p -99.6 113.68 26.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.727 0.299 . . . . 0.0 111.623 -175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.83 49.01 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.131 -1.033 . . . . 0.0 112.868 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 115' ' ' LEU . 48.7 t -103.3 121.94 55.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -93.36 -39.3 11.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -141.7 142.91 33.34 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.085 -174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.65 111.94 34.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -74.0 -32.98 63.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -152.56 129.39 10.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.091 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -110.75 103.33 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.169 0.509 . . . . 0.0 110.402 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 27.7 t70 -135.23 135.95 23.63 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.17 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 26.7 Cg_exo -63.44 -1.42 3.12 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.89 2.393 . . . . 0.0 113.983 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.557 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 44.8 mmtm -111.76 -19.68 12.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 111.471 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 24.9 tp10 -159.27 116.72 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.57 127.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.602 0.239 . . . . 0.0 110.491 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.1 mt -104.74 101.75 11.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.621 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 102' ' ' VAL . 87.3 mt -94.73 124.73 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -89.26 105.85 18.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.7 t -123.47 -164.97 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.42 ' H ' HG13 ' B' ' 118' ' ' ILE . 47.3 mt -53.32 98.11 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.186 0.594 . . . . 0.0 112.461 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 56.84 26.79 12.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLY . . . . . 0.438 ' HA3' ' OH ' ' B' ' 152' ' ' TYR . . . -165.48 171.31 40.7 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.85 126.71 68.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.31 122.25 38.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.607 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 23.1 m -95.08 102.89 14.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.004 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.496 HG22 HD21 ' B' ' 129' ' ' LEU . 47.2 mt -93.28 112.28 26.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.09 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -105.42 136.86 44.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 165.47 -162.19 35.57 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.292 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.605 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 33.1 mt-10 -121.89 150.86 41.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.48 0.181 . . . . 0.0 110.849 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.605 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 11.6 mptt 63.68 29.54 14.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.496 HD21 HG22 ' B' ' 124' ' ' ILE . 6.2 mp -69.88 73.94 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.483 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.761 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.181 177.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -89.39 130.44 35.75 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.57 128.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.009 0.433 . . . . 0.0 111.305 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.09 106.99 17.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.087 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' B' ' 97' ' ' LEU . 7.1 p -102.53 132.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 110.214 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.52 125.67 52.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.359 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.36 174.42 39.05 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.484 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.458 HD13 ' HD3' ' B' ' 128' ' ' LYS . 5.3 mp -91.52 87.83 6.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.627 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 30.4 pt -79.98 131.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.363 0.602 . . . . 0.0 111.621 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 148' ' ' ASP . . . . . 0.472 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 14.9 m-20 -83.89 -39.82 19.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.36 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -164.06 154.29 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.413 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 89.2 mt -116.5 120.53 39.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 43.6 t -115.16 132.2 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.83 0.347 . . . . 0.0 111.041 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.44 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.7 t80 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.739 0.304 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -72.21 117.45 13.86 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 120.834 0.349 . . . . 0.0 110.545 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.549 HE22 ' HB ' ' B' ' 117' ' ' THR . 88.9 mt-30 -105.87 163.93 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 49.1 t80 -121.42 126.93 50.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.922 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.75 125.46 52.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.919 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 33.0 t -118.47 110.55 17.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 31' ' ' VAL . 34.3 tp -110.45 124.57 52.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.757 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 48.6 m -112.43 99.04 7.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 -176.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.17 22.34 0.22 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.463 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 HD23 ' A' ' 28' ' ' LEU . 45.3 t -79.26 135.03 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -90.43 -51.45 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.37 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 45.8 mtmt -145.86 165.46 28.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 111.529 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 44' ' ' LEU . 17.8 m -105.23 118.9 53.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.114 168.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -82.71 -41.44 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 110.712 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 43' ' ' LEU . 26.7 t -150.22 154.05 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -134.02 104.09 6.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.877 0.37 . . . . 0.0 110.24 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.6 m-20 -122.05 146.68 47.08 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 28.0 Cg_exo -62.12 -12.02 24.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -125.37 8.11 7.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 36.8 tt0 -165.69 105.32 0.71 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.932 0.396 . . . . 0.0 111.324 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 50.4 mm -105.57 123.3 59.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 36' ' ' SER . 84.2 mt -101.97 102.7 13.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 0.0 110.727 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 34' ' ' VAL . 85.5 mt -100.57 127.94 46.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.16 116.52 27.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -118.89 -162.58 0.91 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.696 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -41.81 92.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.012 0.925 . . . . 0.0 112.429 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 49.74 24.5 1.25 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.883 0.873 . . . . 0.0 112.244 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.9 -173.28 22.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.215 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.74 140.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 tp -110.9 123.53 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.89 107.55 19.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.26 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 53.0 mt -89.31 115.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -111.3 140.91 45.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' OD2' ' A' ' 77' ' ' ASP . . . 163.26 -152.19 22.15 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -132.43 146.25 51.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.026 0.413 . . . . 0.0 109.997 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.06 49.69 7.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.407 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 42' ' ' ILE . 10.1 mp -72.34 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.445 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 CA-C-N 115.804 -0.634 . . . . 0.0 113.701 -173.77 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.754 -0.138 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 29' ' ' THR . 50.7 mt-30 -81.72 119.89 24.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.35 . . . . 0.0 111.425 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.02 119.1 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -126.1 120.41 30.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.67 150.91 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.575 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.4 138.77 47.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -168.01 40.26 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.026 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.15 74.7 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 28.2 pt -76.95 122.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 0.0 110.868 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.553 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 48.4 m-20 -87.76 -40.98 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.384 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.7 152.27 26.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.359 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.545 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 84.2 mt -116.06 113.96 23.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.2 t -109.66 112.38 40.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 110.898 -175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 9.7 t80 . . . . . 0 C--N 1.316 -0.853 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.231 0.081 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.1 132.61 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.387 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' ' 29' ' ' THR . 14.2 tt0 -127.25 153.84 45.62 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.887 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.757 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 48.6 m-85 -101.67 115.78 31.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.729 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.8 tp -111.24 109.76 19.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.918 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.919 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 4.8 m -111.5 112.78 24.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.412 HD22 HD22 ' B' ' 122' ' ' LEU . 49.6 tp -106.67 127.82 53.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 20.9 m -114.41 109.83 18.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.091 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 29.08 0.68 Allowed Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.844 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.62 144.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.3 m -107.88 -39.76 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.06 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -168.31 165.14 13.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 p -105.5 137.3 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.791 0.329 . . . . 0.0 110.266 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 45.3 mt-30 -90.49 -56.0 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.57 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.487 ' HB2' HD12 ' B' ' 114' ' ' LEU . 23.4 m -136.59 137.09 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' B' ' 113' ' ' ILE . 37.3 t80 -127.02 106.12 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.186 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.42 148.57 70.2 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 -17.99 51.43 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.695 2.263 . . . . 0.0 113.065 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -103.21 -15.23 16.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 43.6 tt0 -157.31 118.5 3.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.164 0.506 . . . . 0.0 111.591 -174.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.525 HG12 HD23 ' B' ' 129' ' ' LEU . 49.0 mm -109.13 123.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.599 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 107' ' ' SER . 94.9 mt -108.33 96.16 6.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.866 0.365 . . . . 0.0 110.445 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 93.7 mt -89.9 142.41 27.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.0 tm-20 -112.99 118.54 35.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.549 ' HB ' HE22 ' A' ' 24' ' ' GLN . 47.5 p -109.38 -174.34 2.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 20.1 pt -34.98 -43.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.063 0.945 . . . . 0.0 113.41 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -158.98 30.8 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.441 . . . . 0.0 110.228 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -148.93 172.22 29.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.743 -1.217 . . . . 0.0 113.133 -174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.72 139.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.164 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 66.2 tp -115.07 110.49 19.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.033 176.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -95.85 102.67 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.297 0.57 . . . . 0.0 110.241 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 41.3 mt -96.64 126.8 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.217 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -127.42 145.6 50.77 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 160.83 -142.42 8.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.578 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.695 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 45.2 mm-40 -123.92 136.51 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.626 0.251 . . . . 0.0 111.101 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 2.2 mptp? 54.03 51.4 14.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.74 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.525 HD23 HG12 ' B' ' 113' ' ' ILE . 7.1 mp -76.08 73.01 2.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.473 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.01 -179.769 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.558 ' HB2' HG23 ' B' ' 100' ' ' THR . 50.2 tt0 -123.54 138.81 54.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.328 . . . . 0.0 110.636 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.43 136.32 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' B' ' 98' ' ' SER . 9.1 mp0 -106.38 118.55 36.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.08 146.05 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 110.463 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -119.92 139.58 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 174.68 -179.35 46.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.538 -1.315 . . . . 0.0 112.963 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 12.6 mt -95.02 89.09 5.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.27 118.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.527 0.68 . . . . 0.0 111.775 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.51 -43.46 12.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.76 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -156.08 164.25 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.905 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 96.1 mt -138.09 116.95 12.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.044 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.61 119.36 60.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.545 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.545 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 2.5 t80 . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 15.6 ptp180 -69.53 108.26 3.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 109.63 174.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.566 HE21 ' HA3' ' B' ' 101' ' ' GLY . 51.8 mt-30 -109.35 172.97 6.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.609 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -105.97 112.92 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.005 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -109.94 119.0 37.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.741 0.305 . . . . 0.0 110.384 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 23.3 m -122.27 121.43 36.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.235 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 97' ' ' LEU . 34.5 tp -133.66 138.25 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 -176.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.9 p -106.85 161.13 14.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.371 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.8 9.11 53.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.15 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.1 119.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -91.55 -30.53 16.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -165.15 148.73 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.983 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.82 123.36 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 mm100 -81.74 -55.99 4.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.921 -176.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -147.47 127.28 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -104.6 104.44 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.0 m-20 -132.63 138.91 33.1 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.572 175.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 15.6 Cg_exo -69.2 9.25 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.863 2.375 . . . . 0.0 112.166 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.2 mmtt -118.43 -16.16 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 9.6 tp10 -175.38 114.19 0.14 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.84 -173.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.593 HG22 ' HG ' ' A' ' 44' ' ' LEU . 58.2 mt -114.1 122.31 67.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.062 0.458 . . . . 0.0 110.478 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 35' ' ' GLN . 97.3 mt -102.29 105.13 15.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.2 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.593 ' HG ' HG22 ' A' ' 42' ' ' ILE . 94.9 mt -112.2 118.04 34.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.712 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 38.8 tt0 -88.76 112.47 23.22 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.542 0.687 . . . . 0.0 110.238 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -92.72 -161.43 0.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.379 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.706 HG21 HD22 ' B' ' 93' ' ' ASN . 11.2 mm -50.97 90.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 57.83 27.46 14.57 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.384 0.674 . . . . 0.0 111.536 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.61 4.98 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.693 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 30.8 t -95.82 127.09 48.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.226 0.513 . . . . 0.0 110.626 -176.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.9 tp -96.59 122.27 39.33 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.523 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.5 t -101.44 113.36 26.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.9 mt -109.92 109.64 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.34 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 2.2 tmmt? -105.1 139.55 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.882 0.372 . . . . 0.0 110.409 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 172.0 -151.74 15.6 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.89 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.08 150.99 41.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.475 0.179 . . . . 0.0 110.767 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.64 30.09 19.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.43 0.633 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . 11.5 tp -79.35 72.65 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.623 -1.172 . . . . 0.0 111.184 -175.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.79 -177.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 112.141 -0.384 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.33 116.26 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 27' ' ' SER . 8.6 p -108.26 136.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.498 -176.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.44 112.22 16.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.858 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.5 144.79 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.76 0.314 . . . . 0.0 111.145 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -111.95 154.22 25.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 142.88 179.29 19.5 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.527 170.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 22' ' ' ASN . 61.2 mt -79.6 86.6 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.929 -0.396 . . . . 0.0 109.929 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.0 pt -77.01 121.05 28.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.269 0.556 . . . . 0.0 110.182 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.75 -44.66 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.859 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -136.23 135.35 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.173 0.511 . . . . 0.0 111.857 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 4.5 mm? -115.96 119.11 34.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.776 173.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 57.8 t -125.96 126.45 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 6.2 t80 . . . . . 0 C--N 1.321 -0.662 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.706 HD22 HG21 ' A' ' 47' ' ' ILE . 11.2 t-20 . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -76.05 99.56 4.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.768 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 93' ' ' ASN . 54.7 mt-30 -97.54 149.75 21.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.011 0.434 . . . . 0.0 111.383 -170.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.22 115.08 29.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.845 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 28' ' ' LEU . 51.1 tp -108.37 109.41 20.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.993 0.425 . . . . 0.0 110.491 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 42.0 m -106.15 111.7 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.909 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.0 tp -118.45 126.54 52.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.418 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 28.2 m -108.19 113.32 26.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.566 ' HA3' HE21 ' A' ' 24' ' ' GLN . . . 136.49 8.86 1.44 Allowed Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.105 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.55 129.59 36.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -89.77 -44.02 10.27 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.929 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -166.52 172.26 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.762 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 115' ' ' LEU . 29.0 m -104.58 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -93.89 -54.0 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.265 0.555 . . . . 0.0 109.657 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -138.34 121.86 17.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.266 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -110.68 104.57 13.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -133.68 140.26 36.17 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.484 ' O ' ' HA ' ' B' ' 127' ' ' GLU . 50.2 Cg_exo -55.15 -18.33 17.47 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 113.581 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 23.8 mmtp -91.98 -21.96 20.25 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 37.4 tt0 -166.37 112.77 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.139 0.495 . . . . 0.0 110.411 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.52 119.86 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.207 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.17 99.93 11.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.153 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.47 HD23 HG12 ' B' ' 105' ' ' VAL . 90.5 mt -93.83 124.54 37.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.855 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -88.45 107.94 19.13 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.0 t -119.15 145.26 46.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 46.4 mm 51.0 -85.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 123.509 0.505 . . . . 0.0 111.094 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -155.36 43.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.48 -179.89 27.55 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 25.9 t -122.18 128.89 75.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 117.06 0.43 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 63.6 tp -105.68 117.81 34.98 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 11.1 m -94.61 104.7 16.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 62.2 mt -91.92 109.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -103.35 143.79 32.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.174 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' B' ' 111' ' ' LYS . . . 155.05 -143.31 9.79 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 110' ' ' PRO . 13.6 pt-20 -161.02 170.4 20.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm 63.26 26.93 15.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.048 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.3 73.96 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.07 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.9 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.655 -178.22 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 35.5 tt0 -92.46 127.74 38.06 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.391 -0.476 . . . . 0.0 110.542 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 14.0 p -134.5 140.24 46.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -122.64 116.65 24.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.605 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.16 131.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -114.88 125.23 53.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.876 0.369 . . . . 0.0 110.403 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -177.53 -177.55 46.46 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.985 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.499 HD22 ' OD1' ' B' ' 93' ' ' ASN . 44.9 mt -85.74 90.37 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.37 115.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.449 0.642 . . . . 0.0 110.84 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.33 -48.87 18.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -157.8 148.38 20.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.727 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.491 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 94.8 mt -116.09 114.34 24.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.23 128.96 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.473 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 4.9 t80 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.551 ' HA ' HD12 ' B' ' 118' ' ' ILE . 5.1 m120 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 73.99 140.46 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.883 0.739 . . . . 0.0 111.507 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 15.3 mm-40 -124.02 143.36 50.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.1 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.49 112.95 25.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 172.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 99' ' ' LEU . 59.5 tp -119.07 132.99 56.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 0.0 110.849 -175.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -128.22 141.46 51.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.098 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 46' ' ' THR . 22.1 tp -136.33 152.21 50.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' B' ' 96' ' ' PHE . 7.7 m -125.38 149.5 48.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.59 0.233 . . . . 0.0 110.92 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.74 10.96 54.81 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.91 125.58 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.286 0.565 . . . . 0.0 111.314 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 t -83.7 -52.92 6.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.059 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -168.09 172.74 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.219 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 44' ' ' LEU . 29.8 m -95.9 135.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.098 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.8 mm100 -81.68 -57.4 3.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.444 0.64 . . . . 0.0 109.287 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 36.5 m -132.8 116.18 16.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.099 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -101.44 104.3 15.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -131.07 146.6 62.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.669 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.96 -17.36 43.98 Favored 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.86 2.373 . . . . 0.0 112.587 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.567 ' HB3' ' NZ ' ' A' ' 40' ' ' LYS . 8.7 mtpm? -108.94 -6.14 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.1 tt0 -169.24 123.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.0 111.199 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.409 HD12 HG11 ' A' ' 72' ' ' VAL . 67.5 mt -119.74 114.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.343 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 52' ' ' SER . 97.2 mt -91.21 114.09 26.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.93 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.584 HD13 HG11 ' A' ' 70' ' ' VAL . 95.6 mt -102.91 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.684 -175.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -90.48 100.76 13.54 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.509 HG21 HD21 ' A' ' 28' ' ' LEU . 9.9 t -124.84 147.09 48.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.938 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mm 43.27 -86.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.809 0.844 . . . . 0.0 113.148 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -141.12 13.35 2.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.581 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.76 156.9 26.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.704 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.4 t -105.92 124.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.308 . . . . 0.0 110.199 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.1 tp -95.99 126.77 41.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.618 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 16.0 m -98.66 101.38 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.336 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 63.2 mt -91.12 110.54 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OE1' ' A' ' 41' ' ' GLU . 63.5 mttm -105.34 146.32 29.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.62 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.26 -138.33 5.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.425 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -158.64 152.79 23.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 59.16 43.29 17.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.419 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.93 73.38 2.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.982 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.438 -178.384 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -129.63 160.25 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.796 0.332 . . . . 0.0 110.64 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 44' ' ' LEU . 9.1 p -138.47 138.67 42.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -138.45 107.03 5.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 HD12 ' A' ' 42' ' ' ILE . 63.3 t -131.3 144.72 36.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.461 -174.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -128.62 169.86 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.89 -164.73 24.97 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.477 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.14 82.66 5.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.776 0.322 . . . . 0.0 110.394 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -76.89 131.58 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.187 0.517 . . . . 0.0 110.162 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -94.84 -43.77 8.06 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.989 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -157.3 158.23 35.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.002 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 93.9 mt -127.01 138.61 53.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.1 t -134.66 127.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.026 0.441 . . . . 0.0 112.141 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 51' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.379 167.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.486 ' N ' HD21 ' B' ' 93' ' ' ASN . 0.8 OUTLIER . . . . . 0 CA--C 1.518 -0.262 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' B' ' 145' ' ' GLY . 35.9 mtt180 -69.64 99.81 1.37 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.619 170.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 144' ' ' GLU . 69.0 mt-30 -89.92 154.55 19.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.411 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 95.2 m-85 -96.61 112.74 24.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 48.1 tp -111.42 109.13 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 34.2 p -118.14 119.88 36.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 122' ' ' LEU . 48.2 tp -125.03 148.53 48.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.956 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 21.9 p -98.87 -173.37 2.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' B' ' 117' ' ' THR . . . 69.35 13.79 68.18 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.346 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.484 HG21 HG12 ' B' ' 141' ' ' VAL . 42.6 t -72.7 111.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.21 0.528 . . . . 0.0 110.108 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -95.58 -33.96 12.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.93 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' B' ' 116' ' ' GLU . 19.0 ptpt -168.53 162.41 12.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.018 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.57 118.73 53.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.997 0.427 . . . . 0.0 109.986 172.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.2 -41.44 63.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.5 t -150.94 127.16 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.75 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -115.37 105.14 12.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.221 0.534 . . . . 0.0 111.178 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' B' ' 111' ' ' LYS . 2.6 m-20 -126.56 150.45 70.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.576 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 28.8 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.158 2.572 . . . . 0.0 112.273 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 109' ' ' ASP . 18.6 ptpt -157.94 -34.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.605 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 13.1 tp10 -137.42 117.24 13.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.712 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.433 HD12 HD23 ' B' ' 129' ' ' LEU . 62.8 mt -123.81 121.77 63.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.846 0.355 . . . . 0.0 110.658 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 71.4 mt -101.01 100.61 11.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.205 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' B' ' 113' ' ' ILE . 93.3 mt -95.43 122.16 37.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.424 ' HB3' ' HG2' ' B' ' 104' ' ' LYS . 33.0 tt0 -90.41 122.74 33.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 49.3 p -121.74 -179.07 3.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.633 -171.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 22' ' ' ASN . 21.8 pt -33.15 -48.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.826 1.251 . . . . 0.0 114.209 -174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.447 ' N ' HG13 ' B' ' 118' ' ' ILE . 29.7 tt0 -155.71 49.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.52 171.74 39.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.321 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -124.04 130.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 99' ' ' LEU . 59.4 tp -97.2 123.74 41.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.59 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.875 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 47.4 t -98.59 104.46 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.731 176.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.552 ' HA ' HD13 ' B' ' 150' ' ' LEU . 38.3 mt -93.08 110.96 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.444 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 64.3 mttm -111.53 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.832 -177.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.549 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 176.1 -139.34 4.55 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -162.09 161.04 28.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 61.72 38.5 15.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.234 0.54 . . . . 0.0 110.228 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.433 HD23 HD12 ' B' ' 113' ' ' ILE . 8.1 mp -71.49 73.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.17 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.03 -179.026 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -149.36 149.73 31.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.484 HG12 HG21 ' B' ' 102' ' ' VAL . 9.3 p -141.52 134.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.988 0.423 . . . . 0.0 111.227 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.66 114.71 27.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.387 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.84 149.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.497 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 95' ' ' GLN . 2.7 pp20? -130.34 130.18 44.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.086 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 145' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' B' ' 94' ' ' ARG . . . 173.15 -171.15 44.26 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.057 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 70.2 mt -86.88 97.96 10.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.7 pt -97.29 125.38 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.046 0.45 . . . . 0.0 111.191 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' ASP . . . . . 0.549 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 13.3 m-20 -89.08 -51.97 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.352 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -145.22 143.5 30.31 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.163 0.506 . . . . 0.0 111.771 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' B' ' 124' ' ' ILE . 3.9 mm? -118.99 117.3 28.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.0 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.875 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.1 t -109.67 124.99 66.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.031 0.443 . . . . 0.0 111.531 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.624 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 10.6 ptm180 -65.62 141.27 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.179 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -120.18 148.74 43.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -173.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.5 112.84 24.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.635 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.1 tp -104.6 111.36 24.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.098 0.475 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 14.9 t -113.25 127.58 56.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.56 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 51' ' ' LEU . 37.0 tp -141.08 152.52 44.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -120.67 153.32 37.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.41 23.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.958 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 60.7 t -83.56 120.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t -75.01 -45.26 43.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 11.5 ptpt -163.91 161.12 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.698 -177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.35 118.85 47.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -74.36 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.121 0.486 . . . . 0.0 110.244 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 p -137.74 122.84 19.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.427 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -102.04 104.44 15.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 12.5 t70 -132.49 133.58 23.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.95 -9.5 10.02 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.009 2.473 . . . . 0.0 113.948 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -111.03 -16.26 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.324 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 30.6 tt0 -163.27 104.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.073 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.27 123.14 59.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.395 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -101.17 101.55 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.44 . . . . 0.0 110.265 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.89 113.23 25.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.32 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 50' ' ' VAL . 37.4 tt0 -76.44 102.3 5.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -100.24 172.35 7.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.371 -173.154 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 93' ' ' ASN . 0.9 OUTLIER -56.08 109.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 70.1 -4.68 1.46 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.866 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -157.67 136.15 4.7 Favored Glycine 0 C--O 1.219 -0.804 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.935 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 45' ' ' GLU . 49.0 t -88.59 126.9 41.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.929 0.365 . . . . 0.0 110.382 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 28' ' ' LEU . 54.8 tp -93.2 119.45 32.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.259 0.552 . . . . 0.0 110.095 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.976 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -101.67 109.68 21.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.104 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 58' ' ' LEU . 34.3 mt -102.2 111.29 31.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.15 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -109.77 138.57 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 173.09 -138.67 4.78 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.958 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 tt0 -151.18 140.79 21.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 56' ' ' GLU . 1.5 mppt? 65.96 31.69 8.99 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.822 0.449 . . . . 0.0 111.713 -178.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 53' ' ' ILE . 7.7 mp -72.22 75.26 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.744 0.418 . . . . 0.0 111.837 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.566 -179.632 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -108.48 121.16 44.38 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.97 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -125.67 105.26 8.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.29 137.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.1 148.03 36.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.75 175.46 37.59 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.01 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 23' ' ' ARG . 4.7 mp -95.76 90.49 5.68 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 pt -69.79 139.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.303 -171.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.22 -41.4 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.68 153.7 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.47 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD21 ' B' ' 122' ' ' LEU . 74.2 mt -116.34 128.29 55.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.976 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 71.4 t -117.34 116.23 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.01 0.433 . . . . 0.0 110.929 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.721 ' HA ' HD12 ' A' ' 47' ' ' ILE . 37.2 m-80 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.837 0.351 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 94' ' ' ARG . 36.8 mtp-105 -80.16 107.28 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -101.59 142.59 32.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.35 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 83.9 m-85 -97.76 116.45 29.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.8 tp -112.45 112.76 24.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 32.4 t -112.7 135.07 53.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.761 176.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 tp -142.77 149.67 39.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.949 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.494 HG22 ' HB3' ' B' ' 140' ' ' GLN . 49.8 p -116.94 170.64 8.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.662 0.267 . . . . 0.0 110.543 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.33 16.74 73.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.839 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.551 HG21 HG12 ' B' ' 141' ' ' VAL . 38.4 t -74.51 115.7 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.274 0.559 . . . . 0.0 110.455 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -83.06 -38.18 22.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.182 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 9.5 ttmm -165.92 161.86 17.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' B' ' 104' ' ' LYS . 7.5 m -104.3 104.83 17.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' B' ' 114' ' ' LEU . 77.7 mt-30 -74.77 -49.85 19.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.31 -171.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -123.68 129.38 51.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -121.15 102.84 8.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.481 0.658 . . . . 0.0 110.524 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -133.86 142.57 44.05 Favored Pre-proline 0 C--N 1.316 -0.889 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.94 -23.67 9.32 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.562 2.175 . . . . 0.0 113.458 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.34 0.73 12.29 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -157.67 121.27 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.39 128.81 48.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.095 0.474 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' B' ' 123' ' ' SER . 88.8 mt -101.67 107.44 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.316 176.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.0 110.99 22.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.661 0.267 . . . . 0.0 110.485 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.36 114.04 13.44 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.1 t -122.14 -176.72 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.767 0.318 . . . . 0.0 110.305 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.72 117.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.98 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 71.32 7.54 6.11 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.037 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.68 -174.1 38.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.756 -1.211 . . . . 0.0 113.253 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 138.28 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.64 HD22 ' HD2' ' B' ' 152' ' ' TYR . 0.1 OUTLIER -96.06 105.45 17.49 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.951 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 33.4 t -86.84 101.54 13.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.45 HG22 HD21 ' B' ' 129' ' ' LEU . 32.4 mt -97.91 114.43 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -113.69 134.86 54.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 174.24 -137.59 4.05 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -151.39 149.42 29.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.029 0.414 . . . . 0.0 110.597 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 63.62 41.8 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.731 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.45 HD21 HG22 ' B' ' 124' ' ' ILE . 11.0 mp -76.42 72.74 3.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.763 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.366 178.788 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' B' ' 100' ' ' THR . 20.5 pt20 -138.1 149.37 45.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.551 HG12 HG21 ' B' ' 102' ' ' VAL . 14.4 p -132.0 147.06 32.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.402 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -131.85 106.73 8.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.85 158.62 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.81 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.13 127.26 26.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.237 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.68 -167.59 39.11 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.72 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.66 99.02 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.406 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 21.2 pt -93.6 150.89 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.138 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.87 -45.09 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.928 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -140.83 145.47 36.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.965 0.412 . . . . 0.0 111.708 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 98.6 mt -122.42 116.05 23.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.9 t -109.09 121.86 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.743 0.306 . . . . 0.0 110.848 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.64 ' HD2' HD22 ' B' ' 122' ' ' LEU . 30.7 t80 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB3' HD12 ' A' ' 75' ' ' LEU . 27.8 t-20 . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.47 0.176 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 53.0 mtt180 -56.77 106.84 0.34 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.21 168.85 9.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.687 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 32.0 t80 -123.2 122.02 37.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.088 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD11 HD11 ' B' ' 97' ' ' LEU . 55.6 tp -123.82 126.14 45.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 28.9 t -121.33 117.67 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 46' ' ' THR . 33.0 tp -112.85 125.9 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.222 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 69' ' ' GLN . 21.1 m -109.65 113.13 25.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.72 34.85 0.16 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.905 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 46' ' ' THR . 45.3 t -99.39 125.11 53.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -100.16 -13.01 19.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -178.56 152.51 0.65 Allowed 'General case' 0 C--O 1.224 -0.265 0 O-C-N 123.127 0.267 . . . . 0.0 110.505 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.97 133.69 48.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -91.01 -60.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 m -134.1 133.99 41.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.878 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -114.26 105.2 12.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.926 0.393 . . . . 0.0 110.432 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 16.9 t70 -126.47 135.52 27.35 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.14 -18.75 18.55 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.079 2.519 . . . . 0.0 113.874 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.0 mttp -111.37 -5.3 14.65 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.7 tt0 -168.05 109.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 110.979 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.64 132.42 53.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.6 mt -102.74 106.39 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.027 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.11 124.48 47.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -88.41 100.65 13.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.547 HG21 HD21 ' A' ' 28' ' ' LEU . 34.4 p -99.89 -172.75 2.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.0 mt -53.01 96.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.602 0.564 . . . . 0.0 111.674 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 53.41 41.05 32.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.636 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.21 147.69 10.96 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.614 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -109.94 121.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.212 0.506 . . . . 0.0 111.013 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 81' ' ' TYR . 49.6 tp -96.83 122.03 39.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.456 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -98.91 107.83 20.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.606 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 37.3 mt -101.57 113.18 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.369 -178.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 8.3 mtpm? -101.28 148.55 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.678 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.91 -165.87 39.17 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 25.3 mt-10 -121.82 134.21 54.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.146 0.473 . . . . 0.0 109.751 172.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp 54.93 66.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.939 0.775 . . . . 0.0 111.174 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -80.19 72.51 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.075 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.665 178.802 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 112.381 -0.288 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 29' ' ' THR . 6.5 pt20 -104.93 128.86 53.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.228 0.537 . . . . 0.0 110.521 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.3 p -127.51 143.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.537 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HB2' ' HE1' ' A' ' 25' ' ' PHE . 17.7 pt-20 -122.21 140.81 52.15 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.2 136.11 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.483 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.75 133.22 44.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.986 0.422 . . . . 0.0 109.982 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 166.59 -164.28 37.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.849 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 3.0 mm? -88.8 71.05 8.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.678 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 12.7 pt -67.38 143.19 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.647 0.737 . . . . 0.0 112.454 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.85 -59.48 2.04 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.658 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' B' ' 152' ' ' TYR . . . -161.68 155.44 21.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.807 -171.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 4.1 mm? -115.46 118.3 32.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.59 176.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.42 121.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -174.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 51' ' ' LEU . 31.7 m-85 . . . . . 0 C--N 1.324 -0.538 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 164.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.621 ' N ' HD22 ' B' ' 93' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.645 0.259 . . . . 0.0 111.439 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.459 ' HG2' HD11 ' B' ' 146' ' ' LEU . 21.5 mtp180 -84.53 136.14 33.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 110.436 176.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -119.81 146.41 45.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.28 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -107.5 125.87 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.435 HD11 HD11 ' A' ' 26' ' ' LEU . 36.2 tp -117.01 114.68 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.093 0.473 . . . . 0.0 110.612 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 12.9 m -114.45 111.03 20.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.586 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 26' ' ' LEU . 49.8 tp -112.7 127.18 56.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.218 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 87.6 m -117.66 126.06 51.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.516 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.46 17.81 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.899 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.53 131.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -89.02 -36.47 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -163.56 165.77 23.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 m -104.16 132.3 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 172.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -85.7 -50.77 6.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 53.5 m -152.53 135.52 15.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.185 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -132.85 103.58 6.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.454 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.66 159.61 70.76 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 168.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' B' ' 129' ' ' LEU . 14.5 Cg_exo -70.44 12.47 0.39 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.906 2.404 . . . . 0.0 114.525 -174.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -122.26 -23.19 5.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.731 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.408 ' OE1' ' HG2' ' B' ' 125' ' ' LYS . 12.6 tp10 -155.95 122.64 5.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.862 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.9 mt -119.72 123.25 70.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.496 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 95.8 mt -108.94 102.65 11.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.11 177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -98.38 129.11 45.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.408 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.81 103.13 14.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 28.7 p -90.14 -172.05 3.34 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.904 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.27 103.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 65.2 24.14 12.3 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.019 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.43 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.052 -1.071 . . . . 0.0 112.822 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.21 123.29 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.526 HD11 HD12 ' B' ' 150' ' ' LEU . 50.3 tp -99.85 122.81 43.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 110.514 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.838 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 36.0 t -98.89 117.71 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.128 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.81 110.83 30.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.892 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.408 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 25.8 mtmt -104.08 130.41 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.938 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.56 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 173.39 -159.28 29.23 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.338 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.667 ' HG2' ' HG3' ' B' ' 128' ' ' LYS . 20.4 tt0 -130.04 144.41 51.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.667 ' HG3' ' HG2' ' B' ' 127' ' ' GLU . 62.0 mttp 67.18 30.41 7.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.905 0.482 . . . . 0.0 110.742 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.0 mp -75.39 73.21 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.579 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 C-N-CA 120.518 -0.848 . . . . 0.0 111.963 -178.641 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 113.651 0.22 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' B' ' 100' ' ' THR . 27.5 mt-30 -122.39 138.96 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.726 -0.279 . . . . 0.0 110.549 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.44 111.98 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.968 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -109.75 105.14 14.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.95 146.88 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.912 0.387 . . . . 0.0 110.515 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -123.96 147.82 47.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.045 0.45 . . . . 0.0 110.294 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.34 -161.52 34.58 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.655 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' B' ' 128' ' ' LYS . 5.4 mp -118.81 91.45 3.56 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.296 0.569 . . . . 0.0 109.716 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.56 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 26.8 pt -81.84 151.68 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.559 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 148' ' ' ASP . . . . . 0.423 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 22.1 m-20 -110.41 -42.7 4.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.245 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.1 154.74 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.225 0.536 . . . . 0.0 111.815 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.526 HD12 HD11 ' B' ' 122' ' ' LEU . 4.1 mm? -115.81 130.78 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.105 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.838 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 45.2 t -120.37 112.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.1 t80 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 75' ' ' LEU . 21.7 t-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 33.9 mtp180 48.83 71.42 0.37 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.716 0.77 . . . . 0.0 110.864 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -95.73 157.71 15.77 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.963 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -110.44 111.4 22.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -100.48 106.4 17.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 14.8 m -113.64 110.45 20.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.935 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.16 126.28 51.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.451 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 69' ' ' GLN . 27.1 m -103.86 113.08 26.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.024 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' ' 95' ' ' GLN . . . 137.01 33.68 0.22 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.793 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HD22 ' A' ' 44' ' ' LEU . 48.9 t -104.94 130.38 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 t -102.79 -29.8 11.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.575 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -159.44 159.15 33.27 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.822 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.77 120.45 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -84.79 -57.28 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.62 0.248 . . . . 0.0 110.549 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 47.4 m -126.83 128.97 47.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.15 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -116.28 106.07 13.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.024 0.44 . . . . 0.0 110.735 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -132.68 141.5 41.35 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 -16.06 33.39 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.156 1.904 . . . . 0.0 112.767 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -114.11 -7.36 13.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -161.88 149.9 14.88 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.47 0.652 . . . . 0.0 111.855 169.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG12 HD23 ' A' ' 58' ' ' LEU . 32.0 mm -133.25 131.61 58.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.057 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 52' ' ' SER . 37.6 mt -104.64 101.82 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 96.9 mt -91.74 128.52 37.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.279 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.24 104.39 16.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.794 ' HB ' HE22 ' B' ' 95' ' ' GLN . 35.8 p -95.52 -171.11 2.3 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.828 -175.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.2 96.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.277 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 67.63 20.89 9.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.888 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.3 20.31 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 t -136.49 153.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 44.7 tp -130.84 119.68 22.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.673 0.273 . . . . 0.0 110.424 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 2.5 m -99.71 122.72 43.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 mm -114.18 118.91 59.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.185 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 34.3 mtmt -100.87 146.28 27.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 -150.8 21.91 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.383 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HG3' ' HB2' ' A' ' 75' ' ' LEU . 7.9 pt-20 -149.79 148.07 28.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' A' ' 75' ' ' LEU . 5.8 mptt 60.53 44.29 11.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 42' ' ' ILE . 8.6 mp -74.59 72.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.691 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.685 -178.005 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.4 pt20 -99.87 129.62 45.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.417 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -127.51 118.37 49.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.443 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -106.36 118.63 37.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.859 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 t -117.67 126.49 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.846 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -116.85 157.97 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.144 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 141.74 -163.25 26.94 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD13 ' HD3' ' A' ' 57' ' ' LYS . 5.4 mp -95.62 83.92 3.85 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.2 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 pt -77.95 138.5 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.456 0.646 . . . . 0.0 110.633 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -94.4 -64.81 1.03 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.904 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -143.44 153.76 42.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.006 0.431 . . . . 0.0 111.0 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 53.6 mt -118.55 118.36 31.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.37 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.6 t -112.49 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.176 0.513 . . . . 0.0 110.948 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' B' ' 150' ' ' LEU . 1.3 t80 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.478 ' HA ' HD23 ' B' ' 146' ' ' LEU . 44.8 mtt180 -66.65 127.35 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.794 HE22 ' HB ' ' A' ' 46' ' ' THR . 65.8 mt-30 -105.59 139.38 40.28 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.735 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' B' ' 144' ' ' GLU . 9.3 m-85 -106.82 118.05 35.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.277 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.0 tp -112.48 123.68 50.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.788 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 7.4 t -113.63 116.47 29.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' B' ' 122' ' ' LEU . 19.3 tp -120.28 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -108.19 167.04 10.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.35 18.68 79.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.228 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 30.4 t -79.95 107.81 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.972 0.415 . . . . 0.0 109.888 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.0 t -98.01 -26.34 14.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.561 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 86.7 tttt -149.48 138.27 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.066 0.46 . . . . 0.0 111.343 -176.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 8.2 m -99.17 108.44 22.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.213 0.53 . . . . 0.0 109.986 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -80.7 -29.96 36.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.197 0.522 . . . . 0.0 110.36 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t -166.31 135.88 3.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.889 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -127.91 104.53 7.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' B' ' 112' ' ' GLU . 2.1 m-20 -132.26 149.25 72.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.91 0.98 3.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.955 2.436 . . . . 0.0 112.909 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -125.42 -27.0 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.785 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 34.5 tt0 -156.66 114.67 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.93 0.395 . . . . 0.0 110.393 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 60.7 mt -107.93 137.09 41.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 123' ' ' SER . 81.4 mt -120.33 100.4 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.943 0.401 . . . . 0.0 110.122 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.539 HD13 HG11 ' B' ' 141' ' ' VAL . 82.9 mt -105.08 121.62 44.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.407 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 29.5 tt0 -88.22 116.27 26.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.169 0.509 . . . . 0.0 109.674 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 47.0 p -105.09 -178.5 3.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.491 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 69.8 mt -31.83 -61.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.447 1.092 . . . . 0.0 113.416 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -141.88 40.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.155 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.62 167.11 40.1 Favored Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.7 136.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.279 0.539 . . . . 0.0 111.004 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' B' ' 99' ' ' LEU . 4.2 mm? -95.27 111.61 23.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.146 177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.665 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 25.9 t -96.42 100.29 11.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 54.9 mt -95.59 111.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.954 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -100.91 143.04 31.54 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' B' ' 148' ' ' ASP . . . 164.13 -158.99 31.76 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.495 -1.335 . . . . 0.0 113.759 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -134.03 137.49 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.488 . . . . 0.0 110.746 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.454 ' HB2' ' NZ ' ' B' ' 128' ' ' LYS . 3.7 ttmp? 65.34 39.5 5.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.523 0.678 . . . . 0.0 110.954 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.513 HD21 HG22 ' B' ' 124' ' ' ILE . 8.7 mp -75.95 73.84 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.75 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 -175.764 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.168 -0.24 . . . . 0.0 112.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -105.01 119.69 39.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.067 0.433 . . . . 0.0 110.544 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.539 HG11 HD13 ' B' ' 115' ' ' LEU . 9.9 p -111.18 148.67 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -147.65 106.31 3.81 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.26 148.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.286 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' B' ' 96' ' ' PHE . 16.3 mt-10 -121.13 125.58 47.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -176.45 -173.31 41.96 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.558 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 94' ' ' ARG . 38.4 mt -97.1 87.68 4.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.441 HD11 ' OE1' ' B' ' 95' ' ' GLN . 19.1 pt -73.51 124.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.672 0.748 . . . . 0.0 111.354 -177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 148' ' ' ASP . . . . . 0.444 ' HB2' ' HA2' ' B' ' 126' ' ' GLY . 18.8 t70 -83.4 -41.45 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.887 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -160.29 164.34 32.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.117 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . 94.1 mt -138.05 115.45 11.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 55.5 t -112.52 112.52 40.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.49 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.8 t80 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.726 0.298 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -80.25 113.92 18.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.53 HE22 ' HB ' ' B' ' 117' ' ' THR . 98.9 mt-30 -119.49 152.99 36.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 47.4 m-85 -98.43 113.77 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.349 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD12 ' B' ' 99' ' ' LEU . 57.4 tp -111.04 129.53 55.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 29.1 m -130.52 124.36 31.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.05 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -127.24 137.36 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.055 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -107.05 166.4 10.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.805 0.336 . . . . 0.0 110.684 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.38 0.71 79.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.499 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG21 HG12 ' A' ' 70' ' ' VAL . 49.1 t -68.38 116.56 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.828 0.347 . . . . 0.0 110.4 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 m -92.47 -30.04 15.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -163.5 143.38 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.44 114.01 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.187 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -72.22 -43.62 64.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -148.47 133.95 18.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -124.59 104.84 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.55 143.05 47.14 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.316 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -14.56 4.86 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 123.2 2.6 . . . . 0.0 114.534 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 80.2 mttt -125.06 -0.76 7.8 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -160.79 131.9 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.226 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.5 mt -136.18 127.33 43.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 -176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.47 100.75 10.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.25 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 70' ' ' VAL . 78.7 mt -94.9 128.52 41.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.376 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.15 110.1 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -125.21 149.17 48.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.242 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mt 44.3 -91.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.517 0.727 . . . . 0.0 112.626 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -141.46 20.42 2.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.838 0.351 . . . . 0.0 110.499 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 169.53 23.68 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.952 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.6 t -115.53 148.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD13 ' HD2' ' A' ' 81' ' ' TYR . 62.3 tp -125.1 118.57 26.43 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -98.63 119.36 37.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.951 0.405 . . . . 0.0 110.223 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 16.1 mm -102.12 110.13 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.953 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -108.38 138.01 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 111.241 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.68 -141.8 7.38 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 8.8 pt-20 -150.86 149.12 29.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 175.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.504 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 61.4 mttm 64.0 38.83 8.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.081 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 53' ' ' ILE . 7.4 mp -74.26 71.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.916 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.978 -171.418 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 113.07 -0.012 . . . . 0.0 113.07 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -153.88 157.7 39.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.695 -0.297 . . . . 0.0 110.486 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 44' ' ' LEU . 13.3 p -143.98 140.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.079 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -126.45 139.16 53.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.441 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 26' ' ' LEU . 15.4 m -142.95 139.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.184 0.302 . . . . 0.0 110.314 175.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -125.82 125.44 42.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 157.14 -157.23 27.89 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.825 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.51 92.89 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 pt -89.67 111.33 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.424 0.631 . . . . 0.0 109.87 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.8 -38.02 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.058 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.593 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -153.61 138.17 16.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.493 . . . . 0.0 111.447 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.561 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 25.9 mt -118.84 113.63 21.39 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 174.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.89 129.03 76.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 21.1 t80 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' B' ' 146' ' ' LEU . 6.0 t-20 . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -74.16 109.54 7.74 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 169.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.23 143.41 27.35 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.03 0.443 . . . . 0.0 110.51 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.58 112.7 25.87 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.906 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.648 ' HB3' HG22 ' B' ' 143' ' ' VAL . 54.6 tp -102.02 106.67 17.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.983 0.42 . . . . 0.0 110.003 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 46.4 t -107.79 118.1 35.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.827 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.502 HD12 HD13 ' A' ' 26' ' ' LEU . 8.6 tt -129.51 130.66 46.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.197 0.522 . . . . 0.0 110.029 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 24.8 m -108.12 105.62 15.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.745 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.23 34.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.135 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 48.2 t -102.0 131.15 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 14.3 t -91.98 -31.96 15.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.735 0.302 . . . . 0.0 110.726 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -172.01 164.12 6.17 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.75 124.87 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.818 0.342 . . . . 0.0 110.271 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 26.0 mt-30 -75.61 -52.25 10.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.891 0.377 . . . . 0.0 110.541 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.1 m -148.03 117.4 6.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -105.51 114.38 28.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -130.7 152.98 81.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.86 32.91 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.298 2.665 . . . . 0.0 113.61 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' B' ' 129' ' ' LEU . 16.1 ptpt -166.07 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.802 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 1.0 OUTLIER -137.47 119.72 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.9 mt -122.53 118.78 56.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -174.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.84 101.98 13.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 97.1 mt -92.65 133.59 35.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.37 178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.577 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 2.9 tm-20 -99.94 101.55 12.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 35.7 p -92.48 -166.14 1.48 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.64 90.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.569 0.223 . . . . 0.0 110.873 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 61.38 24.15 14.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.406 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.86 -178.86 17.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.27 144.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 52.1 tp -122.74 115.45 22.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.503 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 41.1 t -99.0 117.25 33.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.7 mt -109.64 110.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.666 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.802 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 51.3 mtmt -110.6 130.98 55.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.28 . . . . 0.0 111.136 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . -175.9 -149.32 7.39 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -130.44 134.76 47.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt 58.05 71.42 0.58 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.536 0.684 . . . . 0.0 110.746 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -101.33 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.381 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.605 177.005 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 CA-C-O 120.464 -0.076 . . . . 0.0 113.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.54 130.95 52.44 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.51 151.64 24.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 35.4 tt0 -139.29 122.43 16.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 143' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' B' ' 97' ' ' LEU . 26.8 m -102.69 147.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.364 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -128.95 125.01 36.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.129 -175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.92 -163.57 33.28 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 118.875 -1.631 . . . . 0.0 114.058 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' B' ' 93' ' ' ASN . 41.7 mt -94.44 73.98 3.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.365 -0.417 . . . . 0.0 110.715 -175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 37.3 pt -71.62 151.85 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.888 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -117.12 -48.96 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -144.67 147.47 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.16 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.565 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -116.11 137.99 51.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 52.0 t -135.55 115.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.318 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.593 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 1.3 t80 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 121.713 0.768 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -89.75 143.33 26.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.877 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.573 ' OE1' HD11 ' A' ' 76' ' ' ILE . 71.8 mt-30 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.72 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 75.5 m-85 -109.9 115.87 30.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.7 tp -112.06 106.9 15.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 16.1 m -105.17 113.73 27.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.713 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.5 tp -113.65 146.58 39.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.038 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.574 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 68.1 m -132.09 112.66 12.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.645 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.55 -11.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.71 129.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.942 0.401 . . . . 0.0 110.73 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 m -94.31 -35.96 12.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.825 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -163.99 151.27 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.609 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 44' ' ' LEU . 19.7 m -96.98 127.97 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.889 0.376 . . . . 0.0 110.432 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -87.65 -21.41 25.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 111.177 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -164.06 122.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -109.01 103.01 11.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 0.0 110.337 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 40' ' ' LYS . 7.2 m-20 -134.29 138.57 30.61 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.675 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 20.6 Cg_exo -67.52 12.26 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 174.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 40.9 ttmt -120.9 -25.04 5.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.111 0.481 . . . . 0.0 110.084 175.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 35.8 tt0 -164.54 114.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 -176.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.512 HG13 HD23 ' A' ' 58' ' ' LEU . 68.1 mt -111.25 123.76 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.11 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -98.23 105.94 18.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 34' ' ' VAL . 87.4 mt -97.58 109.2 22.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.11 102.44 11.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -125.15 149.1 48.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.537 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm 53.43 -88.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.622 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -143.9 12.89 1.66 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.151 0.501 . . . . 0.0 110.198 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.06 -171.05 12.4 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.084 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.81 126.82 67.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.731 0.301 . . . . 0.0 110.325 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.92 120.18 39.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.503 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.46 111.25 23.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.824 0.345 . . . . 0.0 110.655 -177.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -94.81 115.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -114.57 136.22 53.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.569 -174.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 166.11 -148.1 13.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.738 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -135.14 150.9 50.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 mttp 59.42 30.14 19.79 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.917 0.865 . . . . 0.0 109.826 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 42' ' ' ILE . 14.0 tp -75.8 73.74 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.528 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.856 -176.86 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 29' ' ' THR . 67.8 mt-30 -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -148.35 131.98 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -116.69 115.54 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.35 135.14 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.117 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.29 138.56 50.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 0.0 110.809 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.03 -159.78 30.63 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.071 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -91.68 89.0 6.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.573 HD11 ' OE1' ' A' ' 24' ' ' GLN . 27.0 pt -78.61 117.92 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.421 0.629 . . . . 0.0 109.985 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -84.66 -39.3 18.77 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.065 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.06 156.85 20.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.85 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.9 mt -115.92 120.46 39.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.7 t -116.56 129.28 73.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.834 0.349 . . . . 0.0 111.241 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.448 ' HB3' HD23 ' B' ' 146' ' ' LEU . 11.9 t-20 . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' B' ' 146' ' ' LEU . 6.7 ptp85 -93.95 157.04 16.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.79 148.53 51.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.981 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 87.2 m-85 -97.22 112.94 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.9 tp -106.96 117.99 35.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 12.9 m -112.72 111.09 21.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.598 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 39.4 tp -112.37 126.31 55.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 20.0 m -120.37 126.48 50.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.4 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.46 13.91 5.07 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.622 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 68.4 t -80.72 136.84 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.831 0.348 . . . . 0.0 110.204 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.0 p -92.57 -34.16 14.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.29 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -166.23 154.08 10.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.303 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.422 HG23 HD23 ' B' ' 115' ' ' LEU . 7.2 p -99.12 134.97 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.83 -59.11 2.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.437 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t -142.03 136.44 30.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.802 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -117.01 104.99 11.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.025 0.44 . . . . 0.0 111.036 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 5.0 m-20 -128.01 137.32 30.55 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.475 173.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 35.4 Cg_exo -63.7 -1.92 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.933 2.422 . . . . 0.0 112.947 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.12 -21.34 12.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 111.054 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.687 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.5 tt0 -166.63 115.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 110.513 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' B' ' 129' ' ' LEU . 61.1 mt -100.99 125.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.055 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -101.21 100.61 11.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.281 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.422 HD23 HG23 ' B' ' 105' ' ' VAL . 96.1 mt -100.67 131.94 46.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.122 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -94.73 126.99 40.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.039 0.447 . . . . 0.0 109.802 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 30.1 p -105.44 -175.19 2.72 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.43 ' H ' HG13 ' B' ' 118' ' ' ILE . 46.4 mt -31.5 -63.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 124.558 1.161 . . . . 0.0 112.26 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -138.77 32.8 2.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.402 . . . . 0.0 110.363 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.12 -176.72 22.64 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.291 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.47 138.86 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' B' ' 152' ' ' TYR . 54.8 tp -114.74 118.63 34.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 17.6 m -96.59 110.43 22.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.91 0.386 . . . . 0.0 110.344 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.687 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -89.27 109.88 20.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -100.87 140.23 35.45 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 166.33 -147.63 12.4 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.06 146.92 27.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.664 0.269 . . . . 0.0 110.421 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 tttm 59.48 38.03 22.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.833 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.424 ' HA ' ' HA3' ' B' ' 145' ' ' GLY . 9.9 mp -75.52 72.19 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.467 174.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.028 -175.568 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.471 ' HB2' HG23 ' B' ' 100' ' ' THR . 52.5 tt0 -140.74 118.62 11.79 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.31 143.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' GLU . . . . . 0.448 ' HG2' ' OG ' ' B' ' 98' ' ' SER . 43.9 mt-10 -108.49 118.43 36.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.795 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.11 146.76 31.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.11 132.12 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.481 0.658 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 129' ' ' LEU . . . -168.81 166.58 39.76 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.741 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.591 ' HA ' ' HA ' ' B' ' 94' ' ' ARG . 6.5 mp -84.0 83.75 7.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.648 HD12 HD21 ' B' ' 150' ' ' LEU . 17.7 pt -76.7 132.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.606 0.717 . . . . 0.0 111.491 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -89.12 -51.04 5.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.13 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -149.44 153.74 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.934 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.648 HD21 HD12 ' B' ' 147' ' ' ILE . 4.6 mm? -114.96 113.61 24.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.51 112.59 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.021 0.438 . . . . 0.0 110.923 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 25.8 t80 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' HB2' HD22 ' A' ' 75' ' ' LEU . 29.8 m-80 . . . . . 0 N--CA 1.465 0.313 0 CA-C-O 120.944 0.402 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 75' ' ' LEU . 63.6 mtt85 -75.01 99.75 3.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 74.0 mt-30 -108.08 152.38 24.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.743 -177.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.71 112.24 25.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 60.9 tp -107.57 114.58 28.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.895 0.379 . . . . 0.0 110.501 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 8.5 t -119.46 115.88 24.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD13 HD13 ' B' ' 97' ' ' LEU . 30.5 tp -133.19 132.27 41.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.662 -177.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.5 p -94.11 179.1 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.539 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.37 37.19 59.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.347 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -99.53 130.87 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 110.068 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -95.16 -46.42 6.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.242 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.59 150.47 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 111.115 -176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.07 111.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.57 -49.36 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 0.0 111.222 -175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 t -124.39 118.95 27.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.172 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 10.6 m-20 -134.62 150.01 72.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.922 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.93 -3.35 13.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.201 1.934 . . . . 0.0 112.015 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 3.8 mmmp? -117.86 -25.78 6.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.925 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 80.6 tt0 -158.92 114.47 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.818 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.83 128.97 65.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.06 108.43 19.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' VAL . 93.6 mt -97.21 125.2 41.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.81 112.67 17.32 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.5 p -106.16 178.24 4.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.849 -0.159 . . . . 0.0 110.615 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -38.46 -53.31 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 0.0 112.943 -173.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -139.83 36.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.25 -165.41 28.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.777 -1.201 . . . . 0.0 112.932 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.81 126.03 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 44' ' ' LEU . 57.1 tp -96.58 117.79 31.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.787 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.7 m -98.85 109.43 22.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 mt -99.32 114.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -104.14 149.09 25.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.02 24.46 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 12.2 pt-20 -145.64 150.38 36.22 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.671 -0.311 . . . . 0.0 110.726 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 62.6 mttm 53.03 52.89 12.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.93 -172.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.58 73.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.381 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.345 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.07 160.8 38.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 44' ' ' LEU . 11.4 p -111.14 134.43 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 0.0 110.381 177.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -131.4 106.71 8.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 26.9 m -130.34 146.65 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -137.42 131.84 32.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 172.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 166.9 -168.83 40.51 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.97 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 22' ' ' ASN . 73.9 mt -85.86 85.91 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.8 pt -81.03 144.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -104.94 -52.62 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.533 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.6 153.39 28.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 85.6 mt -116.15 135.75 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.1 t -122.24 122.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.765 0.316 . . . . 0.0 110.55 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.034 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -83.03 136.25 34.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.087 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.03 137.56 48.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.525 173.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -102.27 126.54 49.3 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 57.9 tp -116.82 113.27 22.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.07 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 48.2 t -109.35 124.55 51.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.655 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 26' ' ' LEU . 28.4 tp -134.11 158.62 43.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.311 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.485 HG22 ' HG2' ' B' ' 140' ' ' GLN . 70.1 p -127.28 155.22 43.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.488 ' HA3' HD11 ' B' ' 118' ' ' ILE . . . 94.57 17.08 40.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.184 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.77 113.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 m -84.86 -24.68 28.44 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.205 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -175.26 148.38 0.96 Allowed 'General case' 0 C--O 1.227 -0.083 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.869 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.99 106.94 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 19.2 mt-30 -76.59 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.348 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.3 t -129.47 125.32 36.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -113.95 105.61 13.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.89 0.376 . . . . 0.0 111.053 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -132.45 139.13 33.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -59.01 -10.76 10.71 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.969 2.446 . . . . 0.0 113.975 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -108.98 -21.88 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.183 -0.323 . . . . 0.0 111.808 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 42.2 tt0 -153.96 112.39 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 111.347 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.62 128.89 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.063 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.67 104.61 15.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.445 HD13 HG11 ' B' ' 141' ' ' VAL . 95.3 mt -97.94 115.21 27.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.921 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 26.0 tt0 -75.76 114.87 14.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 16.0 p -119.06 -171.98 2.21 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.357 0.599 . . . . 0.0 111.324 -173.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' B' ' 119' ' ' GLN . 16.0 mt -61.72 118.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.697 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 118' ' ' ILE . 6.5 pt20 63.07 3.3 1.23 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.918 1.287 . . . . 0.0 113.324 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.07 -165.47 22.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.334 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.76 122.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.17 119.34 34.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.116 0.484 . . . . 0.0 109.969 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.763 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.9 m -98.15 117.58 32.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 12.3 mm -101.7 117.98 47.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.451 ' HG2' ' HG3' ' B' ' 112' ' ' GLU . 27.6 mtpp -123.16 144.12 49.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.647 0.26 . . . . 0.0 111.187 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.412 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 165.02 -139.43 5.82 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.184 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.63 134.68 39.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.675 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 36.2 ttmt 49.46 79.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.852 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.42 72.99 8.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.181 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-N 114.851 -1.068 . . . . 0.0 114.309 -171.166 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' B' ' 100' ' ' THR . 74.9 mt-30 -122.73 159.66 27.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.445 HG11 HD13 ' B' ' 115' ' ' LEU . 9.5 p -146.77 133.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 142' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 44.3 tt0 -130.12 113.93 15.11 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.6 m -113.79 154.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.2 125.64 33.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' GLY . . . . . 0.675 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 163.36 -154.23 25.06 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.425 -1.369 . . . . 0.0 113.463 176.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.86 86.5 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.318 -0.441 . . . . 0.0 110.142 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.96 133.59 29.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.365 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' ASP . . . . . 0.412 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 37.3 m-20 -104.37 -46.79 4.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 149' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -139.38 139.16 37.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.527 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.488 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 76.9 mt -115.66 113.18 23.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 49.0 t -109.6 118.81 57.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 -173.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' HA ' HD13 ' B' ' 118' ' ' ILE . 8.1 p30 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.554 0.216 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HA ' HD23 ' A' ' 75' ' ' LEU . 11.5 ptp180 -85.87 133.18 33.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.58 0.705 . . . . 0.0 110.121 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.64 142.7 40.41 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.029 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 43.9 m-85 -97.25 127.44 43.22 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -118.65 116.98 27.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 4.7 m -115.01 110.68 19.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 HD22 ' A' ' 51' ' ' LEU . 29.3 tp -112.82 126.17 55.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.532 HG23 ' HG2' ' A' ' 69' ' ' GLN . 26.9 m -106.77 130.88 54.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 177.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.77 22.66 3.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.968 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 43.7 t -88.88 111.38 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -79.5 -33.7 41.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -155.05 142.87 19.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.564 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.46 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 173.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -72.89 -49.54 29.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.512 . . . . 0.0 110.684 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 m -152.03 142.57 22.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -123.5 105.37 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -123.73 150.71 62.63 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -15.31 36.53 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.989 2.459 . . . . 0.0 112.981 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -103.27 -30.36 10.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 37.7 tt0 -149.11 130.65 14.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -170.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.1 mt -119.67 128.17 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.911 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.15 114.97 29.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.409 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 HD23 ' A' ' 51' ' ' LEU . 86.2 mt -109.52 118.19 35.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.248 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.93 106.99 18.17 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 31' ' ' VAL . 72.6 p -109.11 175.7 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.56 -171.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -32.38 -61.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.448 1.092 . . . . 0.0 113.001 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -140.41 60.69 1.53 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.534 0.683 . . . . 0.0 109.915 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.69 175.58 36.33 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.806 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.42 141.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 44' ' ' LEU . 61.0 tp -108.75 124.53 50.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -107.33 102.77 12.04 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 35.1 mt -89.79 112.71 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG2' ' OE2' ' A' ' 41' ' ' GLU . 54.5 mttm -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.19 0.306 . . . . 0.0 110.442 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.21 -149.64 19.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.675 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.73 138.58 54.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.808 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 16.3 tppt? 62.88 88.31 0.1 Allowed 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 110.471 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.87 71.26 0.88 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.257 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.533 -171.774 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.449 -0.435 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HG2' HG23 ' A' ' 29' ' ' THR . 53.8 mt-30 -117.89 110.67 18.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.947 0.403 . . . . 0.0 110.26 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG21 HD22 ' A' ' 44' ' ' LEU . 98.5 t -108.14 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.667 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.54 105.96 9.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -121.09 163.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.009 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.91 142.66 51.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.906 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.808 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 161.26 -162.35 33.69 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.268 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ARG . 23.9 mt -103.74 87.93 2.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.793 0.33 . . . . 0.0 110.118 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.84 132.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.29 0.566 . . . . 0.0 111.042 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.92 -52.82 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.997 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.12 143.22 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.967 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 85.0 mt -119.85 117.96 29.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.516 176.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.98 133.09 66.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.53 93.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.693 0.759 . . . . 0.0 109.209 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -90.05 157.09 17.96 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.494 -171.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -105.97 113.4 26.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.475 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -115.1 116.97 29.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.362 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 22.9 t -117.84 126.5 52.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.978 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 125.52 46.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.592 HG23 ' HG2' ' B' ' 140' ' ' GLN . 15.5 m -108.21 100.73 10.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.02 53.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.35 138.86 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 26.4 t -88.18 -55.4 3.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -144.68 148.09 33.82 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.275 -0.265 . . . . 0.0 110.614 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.6 126.59 51.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -95.78 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.031 0.443 . . . . 0.0 110.873 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' B' ' 114' ' ' LEU . 38.8 t -115.15 123.57 49.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -124.62 102.73 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.352 0.596 . . . . 0.0 111.524 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' B' ' 111' ' ' LYS . 17.1 t70 -134.62 145.47 55.1 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.72 11.04 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.241 1.961 . . . . 0.0 113.471 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.796 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 36.5 mtmm -129.21 -14.15 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.053 -0.404 . . . . 0.0 111.495 173.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.1 tt0 -152.31 113.08 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.05 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.9 mt -120.76 117.47 53.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.361 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.479 ' HB2' ' H ' ' B' ' 107' ' ' SER . 90.4 mt -97.79 96.76 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.482 HD13 HG11 ' B' ' 141' ' ' VAL . 83.3 mt -93.54 110.95 22.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.247 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -77.63 111.2 13.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.3 0.572 . . . . 0.0 109.644 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -87.77 178.61 6.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.717 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ASN . 57.7 mt -51.67 -36.69 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.41 -174.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -134.76 19.45 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.12 -155.54 10.3 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 119.571 -1.299 . . . . 0.0 112.994 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.13 139.32 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -114.24 119.6 37.57 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.893 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.9 t -96.81 111.45 23.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 0.0 110.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 4.5 mm -90.39 116.1 31.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -106.79 145.36 32.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.56 -145.59 11.08 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.147 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.796 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 9.4 pt-20 -149.26 149.99 31.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 66.14 23.09 11.02 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.356 0.41 . . . . 0.0 111.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.0 73.66 0.28 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.383 0.673 . . . . 0.0 112.218 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.681 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.208 0 CA-C-O 121.041 0.245 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.592 ' HG2' HG23 ' B' ' 100' ' ' THR . 78.6 mt-30 -107.49 110.1 21.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.482 HG11 HD13 ' B' ' 115' ' ' LEU . 13.6 p -106.54 143.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.366 0.603 . . . . 0.0 111.22 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -134.13 106.8 7.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.327 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 27.5 t -110.25 131.5 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.559 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -127.98 130.1 47.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.335 . . . . 0.0 110.101 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 163.31 -175.71 39.56 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.026 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.55 ' HB2' ' HG3' ' B' ' 127' ' ' GLU . 3.2 mm? -80.59 89.84 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.01 145.57 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.392 0.615 . . . . 0.0 110.773 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.59 -54.78 2.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.305 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -167.72 169.97 11.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.827 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.48 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 4.4 mm? -116.3 127.09 54.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.479 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 151' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 63.2 t -115.63 113.32 43.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.52 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' B' ' 118' ' ' ILE . 3.2 t30 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.778 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 27.2 mtp85 -77.22 117.61 18.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -107.4 149.64 27.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-30 -97.54 114.97 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' HG23 ' A' ' 72' ' ' VAL . 38.0 tp -109.84 111.68 23.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.98 0.419 . . . . 0.0 110.616 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.812 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 18.6 m -111.08 118.72 36.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.65 134.53 52.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -106.51 162.63 13.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.357 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.22 55.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.433 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.85 121.9 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -87.19 -44.89 11.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.431 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -160.07 147.88 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 -173.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -92.92 121.91 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -79.19 -45.48 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.572 . . . . 0.0 110.305 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 t -148.2 127.32 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.279 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -113.31 106.59 14.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.137 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -129.63 139.59 36.11 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.85 -24.27 13.24 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.309 2.673 . . . . 0.0 114.174 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 31.7 mtpt -105.69 -6.06 19.48 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -169.12 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.977 0.417 . . . . 0.0 111.288 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.9 mt -112.86 124.66 69.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -99.03 101.95 13.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.901 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.55 120.25 37.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.616 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.32 114.49 20.83 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 t -120.49 -163.52 1.02 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.142 -173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 47' ' ' ILE . 33.8 pt -57.73 108.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.499 0.666 . . . . 0.0 112.167 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.31 0.92 1.85 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.926 -1.033 . . . . 0.0 113.178 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.79 -173.41 30.41 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.307 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.83 140.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -110.8 126.42 54.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.312 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.2 t -96.2 107.75 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.434 HG22 HD21 ' A' ' 58' ' ' LEU . 60.0 mt -104.67 110.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.194 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 5.9 mtmp? -106.83 150.1 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 168.58 -161.15 34.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.732 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -117.96 133.67 55.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.993 0.117 . . . . 0.0 111.017 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.6 64.44 1.82 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.965 0.791 . . . . 0.0 112.436 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 HG22 ' A' ' 53' ' ' ILE . 10.1 mp -88.96 73.38 8.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.959 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.953 -177.524 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -92.67 124.07 36.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.443 0.297 . . . . 0.0 110.511 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.09 123.64 64.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -109.06 122.73 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.247 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 26' ' ' LEU . 16.3 m -123.91 132.14 71.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.907 0.384 . . . . 0.0 110.067 175.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 38.3 tt0 -115.05 125.63 53.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.2 -170.3 42.39 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.864 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.778 ' HG ' ' HG2' ' A' ' 23' ' ' ARG . 2.8 mp -105.4 90.15 3.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.0 pt -66.8 142.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.757 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.16 -48.97 4.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.321 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.501 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -160.97 146.1 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.82 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 88.7 mt -116.38 119.42 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.41 118.28 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.934 0.397 . . . . 0.0 110.762 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.849 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASN . . . . . 0.487 ' CG ' HD23 ' B' ' 146' ' ' LEU . 11.5 t-20 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.551 ' HG2' ' HG ' ' B' ' 146' ' ' LEU . 66.1 mtp180 69.67 113.26 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.987 -177.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -116.53 149.34 39.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -102.41 113.22 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.228 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 51.3 tp -99.12 107.46 19.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.812 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 16.3 t -110.36 120.57 42.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 42.7 tp -139.55 139.89 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.422 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.7 p -106.01 167.72 9.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.075 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.76 20.79 42.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.814 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 52.0 t -86.91 129.44 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 13.1 p -106.17 -18.34 14.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.843 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -171.99 148.87 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.297 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.9 t -91.16 109.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' B' ' 116' ' ' GLU . 11.0 mm100 -71.47 -54.83 9.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.471 . . . . 0.0 110.893 -175.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -149.8 146.59 27.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.899 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -129.74 106.76 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.258 0.552 . . . . 0.0 111.082 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -132.43 140.58 38.35 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.67 -8.96 4.76 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.909 2.406 . . . . 0.0 114.065 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 63.0 mttp -114.15 -17.23 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.541 0.21 . . . . 0.0 111.56 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.522 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . 35.6 tt0 -153.1 116.58 4.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.252 0.549 . . . . 0.0 111.447 -175.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.5 mt -115.88 129.79 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 85.6 mt -114.84 123.26 48.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.17 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.501 HD13 HG11 ' B' ' 141' ' ' VAL . 85.8 mt -121.62 127.66 51.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' B' ' 106' ' ' GLN . 29.6 tt0 -81.38 131.23 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.7 p -122.34 -178.88 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.374 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 22' ' ' ASN . 41.0 mt -38.07 -53.48 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 124.133 0.973 . . . . 0.0 113.487 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -132.12 19.5 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.26 -152.65 8.94 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.498 -1.334 . . . . 0.0 113.254 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.67 152.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -116.49 136.27 53.13 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.404 ' HA ' HD23 ' B' ' 114' ' ' LEU . 33.6 t -114.6 118.14 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.992 0.425 . . . . 0.0 110.233 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.34 120.71 59.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 112' ' ' GLU . 13.8 mmmm -116.63 136.17 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.997 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 167.1 -149.17 14.34 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.28 152.11 44.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.625 0.25 . . . . 0.0 110.891 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 48.0 tttm 64.14 28.21 14.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.356 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LEU . . . . . 0.404 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.7 mp -72.23 72.97 0.94 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.09 178.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.741 -177.021 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 112.746 -0.141 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -117.74 137.05 52.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 111.038 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' VAL . . . . . 0.501 HG11 HD13 ' B' ' 115' ' ' LEU . 11.4 p -126.33 148.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.209 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 142' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 41.7 tt0 -146.77 111.14 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.29 156.19 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -120.65 141.1 50.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.06 172.08 36.18 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.135 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' LEU . . . . . 0.551 ' HG ' ' HG2' ' B' ' 94' ' ' ARG . 4.2 mp -92.95 89.25 6.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 147' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 19.0 pt -82.67 134.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.241 -175.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.93 -20.8 17.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.596 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -158.76 138.62 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.155 0.502 . . . . 0.0 111.586 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 82.8 mt -115.95 114.29 24.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 55.0 t -120.06 117.41 53.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.172 0.51 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.428 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 1.6 t80 . . . . . 0 C--N 1.317 -0.84 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.8 0.333 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 23' ' ' ARG . 32.1 t70 -81.35 -32.22 33.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB3' HD23 ' A' ' 75' ' ' LEU . 6.6 t-20 73.68 -7.37 1.59 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.7 0.8 . . . . 0.0 111.666 173.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' HD3' ' HD3' ' A' ' 57' ' ' LYS . 68.9 mtm180 -78.4 129.63 35.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.427 . . . . 0.0 110.565 173.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -113.39 145.71 40.69 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 93.0 m-85 -97.83 118.33 34.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 tp -114.3 116.26 28.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.927 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.598 ' OG ' ' HB3' ' B' ' 98' ' ' SER . 4.7 p -119.9 132.46 55.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.686 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -133.35 134.37 43.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.766 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -103.16 154.86 18.87 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.81 24.2 21.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.08 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.52 106.58 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -81.01 -38.83 26.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.795 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 56.0 tttm -146.82 150.2 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.462 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.23 139.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 13.2 mm-40 -94.46 -58.9 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.876 0.37 . . . . 0.0 110.348 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 t -143.82 140.3 29.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.479 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -121.41 105.28 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.819 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 14.3 t70 -133.22 136.87 28.09 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.8 Cg_exo -65.05 13.0 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 123.125 2.55 . . . . 0.0 113.771 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 19.7 ttmm -129.91 -15.24 3.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.653 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -155.63 111.55 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 110.77 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 58' ' ' LEU . 45.0 mm -105.59 127.99 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.266 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.41 114.32 24.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.215 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.14 135.56 54.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.874 0.368 . . . . 0.0 110.981 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 8.7 tm-20 -92.33 105.34 17.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 t -125.67 -170.53 2.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' B' ' 93' ' ' ASN . 68.3 mt -51.22 -56.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -88.12 -4.34 58.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -172.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.17 -151.16 23.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.419 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -98.59 125.71 51.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -94.99 118.22 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.441 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.872 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 15.0 m -98.65 106.09 18.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 53.0 mt -95.31 118.68 42.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.516 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -116.6 139.63 50.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.496 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 170.99 -149.89 13.07 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.21 176.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 11.9 tp10 -124.66 134.75 52.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HD3' ' HD3' ' A' ' 23' ' ' ARG . 47.9 tttm 57.2 61.31 2.59 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.589 0.555 . . . . 0.0 110.892 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 42' ' ' ILE . 7.9 mp -89.14 73.16 8.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.359 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.73 149.72 19.39 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.404 ' HB ' ' OD2' ' A' ' 64' ' ' ASP . 12.1 pt -81.33 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.806 0.336 . . . . 0.0 110.572 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -74.99 -32.64 61.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.793 -171.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -150.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.57 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.31 84.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' OD2' ' HB ' ' A' ' 60' ' ' ILE . 7.4 m-20 -91.06 -178.87 5.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.491 -173.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 76.08 -42.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.079 0.862 . . . . 0.0 109.561 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -59.86 144.45 48.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 174.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 69.53 -0.92 2.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.351 0.66 . . . . 0.0 111.788 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.21 23.23 61.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.722 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -126.73 136.97 53.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.791 -0.241 . . . . 0.0 110.385 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.21 121.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.097 0.475 . . . . 0.0 110.934 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 50.7 mt-10 -111.19 123.0 49.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.472 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.54 144.51 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.966 0.412 . . . . 0.0 110.852 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -120.54 144.92 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.714 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.29 -179.89 35.51 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.648 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.552 HD23 ' HB3' ' A' ' 22' ' ' ASN . 3.4 mp -92.2 85.13 5.36 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 ' HE2' ' B' ' 152' ' ' TYR . 6.1 pt -68.9 141.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.123 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.58 -48.51 4.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.152 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -161.71 163.31 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.374 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' HD2' ' B' ' 152' ' ' TYR . 86.3 mt -125.48 133.55 52.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.872 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.2 t -114.82 111.84 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.941 0.401 . . . . 0.0 110.274 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.5 OUTLIER -130.3 109.39 16.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.1 138.38 47.28 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.612 2.208 . . . . 0.0 112.406 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.2 mt -77.46 42.71 0.36 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' CB ' ' H ' ' A' ' 86' ' ' HIS . 31.1 mt-10 54.75 -164.78 0.11 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 110.544 -172.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -108.7 10.43 26.85 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 162.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.447 ' H ' ' CB ' ' A' ' 84' ' ' GLU . 22.5 t-160 -91.7 76.44 5.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.149 -1.841 . . . . 0.0 110.274 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.7 m80 55.35 -127.07 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.268 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 68.6 -45.72 0.53 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.408 0.683 . . . . 0.0 112.633 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.11 101.83 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.794 0.331 . . . . 0.0 111.229 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.8 t60 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.641 177.478 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 121.282 0.563 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.51 165.27 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.414 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.55 ' HA ' HD13 ' A' ' 47' ' ' ILE . 17.7 p30 -93.97 -19.96 20.43 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -83.26 135.43 34.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.943 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -113.68 142.84 45.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.171 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -103.25 112.89 25.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 43.2 tp -105.0 120.67 42.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.598 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 22.7 t -121.65 122.68 40.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.733 176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 22.4 tp -134.65 136.28 42.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.158 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HB3' ' B' ' 140' ' ' GLN . 74.5 p -98.9 171.82 7.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.17 11.54 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.9 117.66 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -114.01 -28.57 7.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.533 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.585 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 61.6 tttm -148.45 129.9 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.02 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.95 114.8 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -102.08 -17.74 15.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.827 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.535 ' HB3' ' HB2' ' B' ' 114' ' ' LEU . 39.3 t -164.9 136.19 4.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' B' ' 132' ' ' LYS . 79.0 t80 -140.25 104.0 4.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.21 0.529 . . . . 0.0 110.637 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -133.39 143.01 46.27 Favored Pre-proline 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.67 0.81 0.67 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.345 2.03 . . . . 0.0 113.753 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 39.7 mtpt -123.1 -9.84 8.16 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 0.6 OUTLIER -164.43 121.84 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.409 HG22 ' HG ' ' B' ' 115' ' ' LEU . 63.3 mt -127.44 127.73 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 107' ' ' SER . 91.4 mt -109.36 106.44 16.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.474 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 113' ' ' ILE . 91.2 mt -110.51 123.18 49.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 1.7 tm-20 -85.84 109.65 18.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.7 p -109.64 -178.41 3.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.045 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 12.8 mt -38.29 -57.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -170.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.52 14.64 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.9 170.86 44.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.164 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' B' ' 153' ' ' PRO . 54.2 t -105.91 126.18 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' B' ' 152' ' ' TYR . 56.6 tp -95.63 128.72 42.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.648 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.662 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 23.0 t -105.52 110.48 22.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.245 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.6 mt -102.16 110.4 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 89.2 mttt -112.91 144.53 42.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.654 0.264 . . . . 0.0 110.984 -173.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.46 -138.5 5.31 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.578 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 8.4 pt-20 -155.45 148.84 24.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.941 0.4 . . . . 0.0 111.283 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 59.01 40.08 22.69 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.702 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.427 HD21 HG22 ' B' ' 124' ' ' ILE . 9.8 mp -77.88 73.36 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' B' ' 131' ' ' ILE . . . -87.22 170.58 41.24 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.972 -176.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' B' ' 130' ' ' GLY . 41.9 mm 75.49 130.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.507 0.67 . . . . 0.0 111.478 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' B' ' 108' ' ' PHE . 75.9 tttt -146.79 142.86 28.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.147 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -79.68 108.25 13.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.88 -29.19 58.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.249 0.547 . . . . 0.0 109.982 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -115.45 123.49 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.185 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.407 ' HB3' ' HA2' ' B' ' 139' ' ' GLY . 95.7 mt -77.19 73.73 3.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.187 0.518 . . . . 0.0 110.405 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -65.93 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.951 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.0 13.87 32.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' B' ' 136' ' ' LEU . . . 65.81 36.49 92.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.89 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' B' ' 100' ' ' THR . 12.5 pt20 -123.47 152.1 42.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 110.937 -176.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -114.26 140.8 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.827 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.36 110.24 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.89 156.57 28.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -129.93 134.57 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.23 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 159.88 -161.22 32.2 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.105 -1.045 . . . . 0.0 112.587 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.93 86.94 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.463 HD12 HD21 ' B' ' 150' ' ' LEU . 17.5 pt -82.97 118.82 31.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 110.29 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.09 -35.88 12.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.287 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -148.27 140.24 23.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.322 0.582 . . . . 0.0 112.157 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.463 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -115.94 114.77 25.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.142 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.662 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 46.0 t -116.64 116.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 0.0 111.954 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.706 ' HE2' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -103.52 153.5 38.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.538 ' HD3' ' HD1' ' B' ' 152' ' ' TYR . 13.1 Cg_exo -68.52 135.56 33.91 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.219 1.946 . . . . 0.0 112.037 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.86 149.75 49.69 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.26 140.88 9.26 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 123.359 0.412 . . . . 0.0 110.197 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -57.29 89.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.423 0.452 . . . . 0.0 111.4 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 51.6 m80 51.23 -111.09 0.52 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.159 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' HIS . . . . . 0.429 ' C ' ' H ' ' B' ' 160' ' ' HIS . 43.6 t-80 54.15 -100.21 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.235 0.334 . . . . 0.0 111.825 174.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 159' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' B' ' 160' ' ' HIS . 51.4 m-70 67.29 -32.93 0.2 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' B' ' 159' ' ' HIS . 74.8 t60 73.28 8.02 5.24 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.57 0.7 . . . . 0.0 109.557 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 44.1 t60 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.423 -0.798 . . . . 0.0 109.789 -179.3 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 ttm . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -150.38 140.95 22.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.116 0.484 . . . . 0.0 111.23 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.591 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -139.36 0.52 1.89 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.547 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.73 111.55 10.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.519 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 94.1 mt-30 -99.69 141.64 32.22 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.737 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 26.9 m-85 -99.5 111.46 23.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 99' ' ' LEU . 53.6 tp -108.17 116.81 32.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 2.3 p -125.28 131.3 53.1 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' B' ' 96' ' ' PHE . 35.5 tp -136.78 153.52 50.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.697 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLY . 49.4 p -111.61 174.93 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.489 176.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.42 22.16 76.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.795 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 70' ' ' VAL . 57.1 t -81.74 130.94 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.4 m -90.12 -55.56 3.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -165.5 165.25 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.539 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.98 138.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.68 -48.74 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.73 0.3 . . . . 0.0 110.656 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 p -134.6 118.37 17.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.449 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -96.04 102.49 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 0.0 110.345 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.6 m-20 -134.33 136.38 25.78 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.082 173.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 12.5 Cg_exo -70.95 17.02 0.27 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.991 2.461 . . . . 0.0 113.223 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -135.32 -31.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.656 0.265 . . . . 0.0 110.862 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 39.7 tt0 -146.73 108.68 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.793 HD13 HD11 ' A' ' 60' ' ' ILE . 68.2 mt -107.63 128.69 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.548 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.23 101.78 11.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.926 0.393 . . . . 0.0 110.167 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.12 123.18 36.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.436 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -91.83 125.05 36.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 0.0 109.786 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -123.81 -163.35 1.13 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.868 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.8 93.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 122.762 0.425 . . . . 0.0 111.6 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 65.0 17.34 11.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.558 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA3' ' OH ' ' A' ' 81' ' ' TYR . . . -149.43 172.62 29.42 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.5 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -132.73 129.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.681 0.276 . . . . 0.0 110.363 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.3 tp -105.22 122.44 45.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.748 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.9 m -97.87 114.79 26.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.707 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.0 mm -101.46 115.86 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.433 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 46.1 tttp -123.32 134.87 54.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.06 -152.72 20.71 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.124 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -117.99 134.98 54.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.722 0.296 . . . . 0.0 111.018 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.44 63.77 1.77 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -84.71 73.33 10.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.777 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.6 149.72 47.12 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.382 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.793 HD11 HD13 ' A' ' 42' ' ' ILE . 63.4 mt -122.41 135.3 62.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 122.533 -0.393 . . . . 0.0 111.184 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 71' ' ' GLU . 10.9 tppt? -72.53 116.09 12.58 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 171.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -88.21 101.8 14.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.505 0.669 . . . . 0.0 111.449 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 63' ' ' LEU . 2.5 pt? -133.03 -176.38 4.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.778 171.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.13 147.64 27.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.27 0.557 . . . . 0.0 111.265 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -92.81 1.84 57.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.898 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.28 -45.04 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.634 171.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' THR . . . 102.76 -5.85 51.39 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.584 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -86.95 127.89 35.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.477 HG12 HG21 ' A' ' 31' ' ' VAL . 12.0 p -130.53 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 37.4 mt-10 -125.87 122.03 34.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.591 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.1 t -107.4 126.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.37 124.49 51.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.18 -173.59 44.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 118.82 -1.657 . . . . 0.0 113.669 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 22' ' ' ASN . 16.3 mt -91.29 67.79 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.595 HD12 HD21 ' A' ' 79' ' ' LEU . 22.1 pt -70.43 142.07 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.305 0.574 . . . . 0.0 110.977 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -118.4 -39.93 2.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -134.48 135.1 42.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.065 0.459 . . . . 0.0 111.463 -177.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 76' ' ' ILE . 4.4 mm? -116.17 124.78 51.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.538 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.748 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 46.4 t -126.58 133.96 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.803 0.335 . . . . 0.0 111.382 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 5.4 t80 -136.57 111.17 9.7 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.45 150.81 41.61 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.618 2.212 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.75 137.15 57.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -72.92 167.46 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.553 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -144.04 54.57 1.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.19 0.519 . . . . 0.0 110.065 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -78.22 158.75 28.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.549 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -162.68 -67.9 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -152.72 135.36 15.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -57.09 -39.85 75.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.514 172.63 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' B' ' 93' ' ' ASN . 1.3 p30 -112.38 -99.3 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.333 173.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.655 ' HB2' ' O ' ' B' ' 92' ' ' ASP . 6.1 t-20 157.65 -23.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.47 1.108 . . . . 0.0 109.095 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -80.0 117.74 21.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -99.69 159.74 14.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.953 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 84.7 m-85 -98.02 112.53 24.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.337 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.3 tp -108.56 106.69 16.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.91 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.59 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 0.4 OUTLIER -120.0 122.98 42.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.691 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.56 HD13 HD13 ' A' ' 26' ' ' LEU . 14.1 tp -134.54 138.32 44.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.613 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 71.4 p -100.95 174.92 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 24' ' ' GLN . . . 84.57 16.08 66.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.819 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.451 HG11 HD22 ' B' ' 115' ' ' LEU . 67.6 t -92.02 121.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 20.0 m -93.74 -39.14 10.92 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.732 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -159.46 145.33 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.64 0.257 . . . . 0.0 110.641 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.29 107.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.36 -55.25 9.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.183 0.516 . . . . 0.0 110.498 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 37.2 t -132.7 123.88 27.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.826 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -113.8 106.47 14.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.033 0.444 . . . . 0.0 111.302 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -133.04 139.79 35.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -53.79 -14.62 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.973 2.448 . . . . 0.0 114.26 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -109.29 -5.56 15.84 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.099 -0.376 . . . . 0.0 111.839 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.537 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 32.6 tt0 -171.12 123.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.952 0.406 . . . . 0.0 111.266 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.28 127.34 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.036 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.17 107.06 19.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.419 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.451 HD22 HG11 ' B' ' 102' ' ' VAL . 85.6 mt -100.18 111.18 23.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.731 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.13 122.5 25.7 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.6 p -113.89 178.53 4.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.32 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.53 -46.99 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.08 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.82 30.88 2.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.442 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLY . . . . . 0.665 ' HA3' ' HE1' ' B' ' 152' ' ' TYR . . . -174.92 -167.65 34.49 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.745 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.3 t -135.58 120.75 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.0 tp -96.99 118.91 34.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.01 0.433 . . . . 0.0 110.173 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.655 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 43.5 t -94.73 111.19 22.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.343 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 9.2 mm -91.81 110.18 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.467 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 65.1 mttm -108.67 142.2 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 166.33 -139.38 5.73 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.015 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 58.66 49.4 10.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.916 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.14 71.88 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.128 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.83 109.4 2.96 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.579 -172.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 12.4 tt -114.0 145.07 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -83.27 118.69 23.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -71.18 115.26 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.753 -177.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 47.9 tp -151.19 -66.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.438 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -159.52 -168.21 2.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 25.2 tp -90.22 -2.91 58.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.227 0.536 . . . . 0.0 109.579 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 66.2 -77.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.864 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -160.2 27.9 0.17 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.22 31.2 26.07 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.004 -1.239 . . . . 0.0 110.004 -170.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -125.86 133.32 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.817 -0.691 . . . . 0.0 109.878 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -107.51 141.86 21.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.184 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -124.97 106.69 10.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.65 120.26 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.91 124.16 51.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.03 -160.5 32.56 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.284 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.38 114.97 27.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.33 136.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -102.13 -51.7 3.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -154.42 153.36 31.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.236 0.541 . . . . 0.0 111.713 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.423 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 mm? -116.53 116.76 28.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.68 175.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 89.6 t -116.1 124.16 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.945 0.402 . . . . 0.0 110.82 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.665 ' HE1' ' HA3' ' B' ' 120' ' ' GLY . 0.8 OUTLIER -131.62 98.96 17.45 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.59 125.9 7.13 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.194 2.596 . . . . 0.0 112.493 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 9.0 mp -70.39 153.17 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.327 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -88.74 -40.58 13.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.136 0.493 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.5 104.21 12.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.375 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -167.93 -41.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 65.76 -72.72 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.194 0.597 . . . . 0.0 110.505 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -172.68 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -172.59 99.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.132 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.399 177.143 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -113.22 -131.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.731 0.301 . . . . 0.0 111.169 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HA ' HD12 ' B' ' 118' ' ' ILE . 6.2 p-10 -87.34 13.68 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 31.5 mtp-105 -93.24 104.1 16.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.5 173.32 8.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.329 0.585 . . . . 0.0 111.751 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.982 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 85.6 t80 -120.22 129.02 53.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.366 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 60.2 tp -129.08 133.37 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.22 -173.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 21.2 t -131.98 137.4 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.518 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -139.79 149.02 43.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.532 HG22 ' HB2' ' A' ' 69' ' ' GLN . 77.3 p -113.34 159.94 18.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.48 5.85 68.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.278 -0.486 . . . . 0.0 112.3 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.469 HG21 HG12 ' A' ' 70' ' ' VAL . 38.9 t -65.08 128.85 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.0 110.506 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -101.92 -48.67 4.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.695 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -150.64 147.18 27.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 111.266 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.6 t -89.58 108.53 19.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -67.4 -59.56 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.189 0.519 . . . . 0.0 110.64 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -130.11 130.12 44.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.235 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HZ ' HG21 ' A' ' 60' ' ' ILE . 89.3 t80 -117.51 104.38 11.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.069 0.462 . . . . 0.0 111.269 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.33 141.78 41.79 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -57.41 -13.4 13.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.847 2.365 . . . . 0.0 113.927 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -108.99 -12.19 14.89 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 40.2 tt0 -162.56 122.07 2.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.197 0.522 . . . . 0.0 111.069 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.98 129.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.304 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 52' ' ' SER . 77.7 mt -99.1 105.83 17.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.967 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.41 107.94 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.655 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 1.5 tm-20 -84.48 110.59 18.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -115.73 145.66 42.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.708 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt 45.51 -81.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 123.833 0.708 . . . . 0.0 112.79 -170.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -151.22 23.88 0.73 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.646 0.736 . . . . 0.0 109.545 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.49 141.16 11.45 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.001 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 22.2 t -94.72 122.14 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 111.106 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 80' ' ' VAL . 57.4 tp -96.37 131.37 42.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.862 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HD23 ' A' ' 43' ' ' LEU . 32.7 t -99.51 112.14 24.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.084 0.468 . . . . 0.0 110.958 -177.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.6 mm -101.07 113.72 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.627 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 4.3 ttmp? -114.29 139.26 49.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.467 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 75' ' ' LEU . . . 175.73 -138.87 4.39 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.392 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -156.17 146.56 21.62 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HB2' ' HE3' ' A' ' 57' ' ' LYS . 15.3 ttmt 61.55 38.9 15.28 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.4 75.95 0.55 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.139 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.61 118.82 10.3 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG21 ' HZ ' ' A' ' 37' ' ' PHE . 4.7 tp -102.21 114.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.319 0.58 . . . . 0.0 111.534 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -77.48 115.38 17.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 173.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -82.16 100.72 9.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.387 0.613 . . . . 0.0 112.279 -167.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.1 mt -133.73 128.77 35.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 168.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.63 45.98 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.839 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt 56.95 34.2 24.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.443 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.06 -45.84 82.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 6.36 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.42 6.88 43.48 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.626 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 29' ' ' THR . 56.2 tt0 -121.69 140.92 51.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 HG21 ' A' ' 31' ' ' VAL . 11.2 p -135.74 140.37 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.713 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -136.97 130.76 32.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.107 0.479 . . . . 0.0 110.835 177.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.67 168.29 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.988 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.79 51.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.429 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 23' ' ' ARG . . . 159.97 -170.84 36.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.085 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 57.4 mt -83.42 111.2 18.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.12 109.84 25.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.234 0.54 . . . . 0.0 110.442 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.32 -51.76 8.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.929 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -137.08 147.88 46.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.671 -174.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 0.2 OUTLIER -132.54 112.44 12.09 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD12 ' A' ' 51' ' ' LEU . 48.3 t -124.96 112.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 111.669 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.455 ' HB3' ' N ' ' B' ' 150' ' ' LEU . 0.5 OUTLIER -110.67 106.28 57.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.69 118.77 5.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.755 2.303 . . . . 0.0 112.308 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' B' ' 149' ' ' ALA . 3.6 pp -68.42 150.59 47.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.483 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.09 94.62 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.38 0.61 . . . . 0.0 111.303 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -101.21 99.37 9.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.672 0.749 . . . . 0.0 110.133 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.3 59.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.871 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -113.82 11.19 17.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 61.37 -95.99 0.06 Allowed 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.961 -174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -172.78 24.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.675 -177.145 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -87.36 124.45 33.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.278 0.561 . . . . 0.0 109.6 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -98.01 28.58 3.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.73 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -77.34 95.23 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 109.771 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.407 ' OE1' HD11 ' B' ' 147' ' ' ILE . 88.2 mt-30 -95.98 152.0 18.92 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.81 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' B' ' 144' ' ' GLU . 10.5 m-85 -106.92 112.03 24.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -100.75 107.79 19.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.344 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 23.3 t -104.8 113.84 27.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.765 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 41.6 tp -115.47 134.06 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.804 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.982 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 86.9 m -127.05 121.26 31.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.26 31.18 1.74 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -90.9 124.87 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.7 m -75.13 -46.87 31.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.003 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -168.63 164.72 12.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.928 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -100.41 140.12 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.632 0.253 . . . . 0.0 110.375 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 82.4 mt-30 -96.23 -34.46 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.0 110.091 177.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.4 t -161.72 130.68 4.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -119.24 105.1 11.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.93 153.84 76.28 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.653 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.32 7.79 1.07 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.736 2.29 . . . . 0.0 113.629 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 129' ' ' LEU . 63.7 mttt -134.26 -31.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 20.8 mt-10 -135.31 115.6 13.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 111.054 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.12 124.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.82 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.18 101.3 12.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.77 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.11 109.66 21.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.697 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 36.0 tt0 -79.96 106.4 11.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.6 p -93.06 -177.23 4.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.932 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -44.45 -47.31 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 124.059 0.849 . . . . 0.0 112.06 -171.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -145.01 48.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.283 0.563 . . . . 0.0 110.105 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -172.59 -173.18 38.96 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.654 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 59.9 t -138.98 120.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -96.15 111.83 23.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.3 m -91.74 110.24 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 51.2 mt -93.86 116.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' B' ' 112' ' ' GLU . 32.5 tptt -113.23 127.79 56.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.03 -148.27 10.3 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.824 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 146' ' ' LEU . 65.4 mm-40 -127.85 137.35 52.31 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.984 0.514 . . . . 0.0 110.386 -176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.2 mttm 58.74 54.74 5.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.089 172.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -78.11 72.6 4.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.37 178.02 45.88 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.878 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 50.8 mm 71.3 97.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.626 0.727 . . . . 0.0 110.342 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -104.69 84.56 2.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.006 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.436 ' HB3' HG23 ' B' ' 141' ' ' VAL . 17.6 t-160 -87.1 85.73 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.672 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.57 93.42 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -91.24 -78.03 0.4 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.888 -171.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 63.89 20.25 12.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.106 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' B' ' 138' ' ' ALA . 75.2 mmtt -118.46 72.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 137' ' ' LYS . . . 83.64 -9.11 1.03 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.655 -172.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.22 1.85 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.959 171.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.57 ' HG2' HG23 ' B' ' 100' ' ' THR . 44.7 mt-30 -112.32 110.47 20.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.616 0.245 . . . . 0.0 110.383 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' B' ' 133' ' ' HIS . 7.8 p -137.05 134.34 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.0 111.356 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -119.5 112.54 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.535 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.6 t -102.57 138.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.438 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' B' ' 96' ' ' PHE . 52.7 mt-10 -118.27 125.03 49.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.655 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.94 -163.53 37.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.107 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 40.9 mt -99.62 93.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.407 HD11 ' OE1' ' B' ' 95' ' ' GLN . 22.1 pt -82.98 115.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.537 0.684 . . . . 0.0 110.675 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.3 -40.34 21.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.25 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . . . -155.03 163.79 39.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.455 ' N ' ' HB3' ' A' ' 81' ' ' TYR . 94.7 mt -137.05 124.43 21.97 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.1 t -109.85 109.61 29.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.191 0.519 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 3.3 t80 -146.37 98.19 4.31 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.9 -104.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.229 1.953 . . . . 0.0 112.583 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 91.3 mt 57.53 15.33 2.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' B' ' 157' ' ' HIS . 45.9 mt-10 -64.12 -37.39 87.27 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.23 -6.75 1.08 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.928 0.767 . . . . 0.0 110.632 -174.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 157' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' B' ' 155' ' ' GLU . 55.8 t60 50.37 74.77 0.2 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.895 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -107.29 63.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' B' ' 160' ' ' HIS . 11.1 m170 66.26 -66.64 0.17 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 160' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' B' ' 159' ' ' HIS . 56.9 t-80 73.96 -66.0 0.32 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 . . . . . 0 C--O 1.242 0.694 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.638 172.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.84 40.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.23 -170.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.523 ' HA ' HD13 ' B' ' 118' ' ' ILE . 6.3 t30 -92.21 -15.01 28.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.19 121.33 19.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.218 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -97.88 148.8 23.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.807 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 27.8 m-85 -106.32 111.21 23.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB3' HG22 ' A' ' 72' ' ' VAL . 43.3 tp -96.44 113.38 24.95 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.223 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 32.3 m -113.86 113.4 24.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.838 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD13 HD13 ' B' ' 97' ' ' LEU . 26.7 tp -133.91 137.17 44.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 p -100.59 156.07 17.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.14 47.93 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.916 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 HG12 ' A' ' 70' ' ' VAL . 48.6 t -66.95 115.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 109.804 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 m -94.3 -39.44 10.5 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -169.72 163.73 9.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -100.95 138.7 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -96.48 -37.56 10.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -154.47 122.64 6.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -108.47 104.63 14.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 0.0 111.213 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -123.16 142.7 39.06 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.0 Cg_exo -64.96 -11.66 30.79 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.107 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -104.4 -19.27 14.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.877 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.9 tt0 -168.85 121.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.564 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.2 mt -114.81 130.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.693 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.41 102.14 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.75 123.31 42.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.51 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.78 118.1 27.07 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.389 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -101.05 -164.45 1.11 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.41 89.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 O-C-N 123.466 0.479 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 54.96 43.59 29.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.997 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.52 173.58 34.3 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.0 t -134.16 115.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 117.346 0.573 . . . . 0.0 110.861 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 60.5 tp -99.33 113.54 25.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.84 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -90.18 116.5 28.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -103.16 110.59 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 59.4 tttp -110.02 138.89 45.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 166.54 -145.82 10.32 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.192 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -137.62 139.42 40.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.911 0.355 . . . . 0.0 111.466 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt 61.14 52.79 3.83 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.732 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.27 73.04 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.08 121.88 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.854 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 72' ' ' VAL . 35.6 pt -88.63 -25.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.671 0.272 . . . . 0.0 110.453 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 71.97 -56.32 0.64 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.745 0.818 . . . . 0.0 111.274 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -121.63 135.51 54.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.297 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -123.89 28.3 6.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.319 0.58 . . . . 0.0 110.69 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 66' ' ' LYS . 12.3 p-10 -82.78 -2.78 55.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.148 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 65' ' ' LEU . 5.7 tt 74.47 -32.83 0.24 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.691 0.796 . . . . 0.0 110.558 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' ASP . 44.6 tttp 69.24 -83.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.697 0.799 . . . . 0.0 111.462 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.55 22.14 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.245 0.545 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 97.74 41.73 3.28 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.469 -175.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -144.16 144.23 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG12 HG21 ' A' ' 31' ' ' VAL . 10.4 p -141.91 137.05 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 0.0 110.621 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -123.3 106.47 10.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 60' ' ' ILE . 35.3 m -109.19 144.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.944 0.402 . . . . 0.0 111.626 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.68 170.78 42.28 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.353 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.3 mt -83.12 77.31 9.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.448 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.3 pt -77.39 143.51 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.826 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.59 -58.84 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.993 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' B' ' 154' ' ' LEU . . . -122.04 138.41 54.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.695 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.25 114.84 24.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 171.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.84 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 45.8 t -112.96 113.49 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.966 0.412 . . . . 0.0 111.316 -175.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' HB3' ' HB2' ' B' ' 150' ' ' LEU . 4.0 t80 -144.0 97.86 5.26 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 174.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.95 -53.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.138 2.559 . . . . 0.0 112.851 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp 62.32 90.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.576 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -92.1 -28.77 16.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.918 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -84.28 142.05 30.52 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.67 4.59 9.15 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -169.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 75.95 -33.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.251 0.62 . . . . 0.0 111.66 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -157.55 157.65 34.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.502 0.192 . . . . 0.0 110.991 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.2 t60 76.35 147.89 0.1 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.906 0.86 . . . . 0.0 113.176 168.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.621 173.785 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.6 -72.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.378 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.545 ' HB3' HD12 ' B' ' 146' ' ' LEU . 0.2 OUTLIER -154.28 -29.59 0.12 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.75 -175.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -60.36 129.7 42.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -128.73 147.59 50.78 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -100.62 123.61 45.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.801 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 28' ' ' LEU . 60.3 tp -118.29 122.55 43.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.857 0.361 . . . . 0.0 110.728 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 11.3 t -122.56 126.94 48.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.937 177.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.495 HD21 HG21 ' B' ' 117' ' ' THR . 15.5 tp -124.73 142.71 51.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.035 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 174.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.68 29.56 42.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.754 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.06 117.6 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -77.17 -48.63 17.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.719 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -171.54 173.21 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.966 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.03 136.32 31.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.361 . . . . 0.0 110.658 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 27.0 mt-30 -89.71 -50.7 5.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.329 0.585 . . . . 0.0 110.31 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m -140.94 126.53 18.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.923 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -112.32 105.48 13.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 0.0 110.269 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 14.5 t70 -130.32 136.85 29.63 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.208 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 34.4 Cg_exo -59.88 -14.59 28.2 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.858 2.372 . . . . 0.0 113.435 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -105.59 -16.61 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.424 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.626 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 39.2 tt0 -165.8 115.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.056 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.4 mt -108.88 136.22 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt -111.1 107.36 16.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.477 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 92.2 mt -94.68 129.09 41.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.767 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.569 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.5 tm-20 -94.39 106.78 18.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.495 HG21 HD21 ' B' ' 99' ' ' LEU . 64.4 p -107.08 -178.58 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.506 -173.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 22' ' ' ASN . 63.2 mt -22.97 -64.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.13 1.372 . . . . 0.0 113.674 -177.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -142.48 27.27 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.342 0.591 . . . . 0.0 109.662 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.83 -171.54 19.72 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.338 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.567 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 40.7 t -132.49 143.33 40.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.605 HD13 ' CD2' ' B' ' 152' ' ' TYR . 32.7 tp -118.94 121.92 41.06 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.565 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.5 m -101.59 111.84 24.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.585 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 6.5 mm -97.45 110.88 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -112.51 132.62 55.0 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.742 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.85 -143.79 7.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.6 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -134.25 139.14 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.594 0.235 . . . . 0.0 110.868 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 49.19 62.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.605 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.25 72.68 10.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.676 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.45 140.84 28.89 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.672 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 12.7 tt -117.88 143.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 O-C-N 122.638 -0.33 . . . . 0.0 110.583 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -81.0 147.47 30.19 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -74.62 82.15 2.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.28 103.28 10.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.05 152.63 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.165 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 96.6 mt -74.04 78.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.48 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -76.77 -54.68 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.595 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -115.32 22.49 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.062 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.32 52.62 21.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.005 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -125.89 140.91 52.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 98' ' ' SER . 93.0 t -132.68 143.9 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.346 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -130.55 119.53 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.82 141.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.87 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.38 139.7 51.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.76 -162.99 35.44 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.147 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' B' ' 93' ' ' ASN . 2.2 mm? -92.94 85.17 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 33.0 pt -80.16 140.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.66 -48.65 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -133.03 144.84 50.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 0.0 112.086 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 81' ' ' TYR . 3.0 mm? -123.95 124.19 42.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.932 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.6 t -126.62 127.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.605 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -121.77 98.67 45.29 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.098 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 9.6 Cg_endo -56.14 121.59 10.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.831 2.354 . . . . 0.0 111.584 172.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 78' ' ' ALA . 70.6 mt -91.63 142.73 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.495 -171.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.79 -177.01 0.14 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 124.353 1.033 . . . . 0.0 113.485 168.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -82.87 -25.25 32.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.583 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.13 106.71 18.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -84.96 115.02 22.57 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.915 -172.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -65.77 128.07 34.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -154.61 84.97 1.11 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.477 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.005 -177.201 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 23' ' ' ARG . 4.0 t70 68.81 -172.89 0.18 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.058 0.849 . . . . 0.0 110.642 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -122.55 -12.53 8.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.409 0.623 . . . . 0.0 109.631 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HG2' ' OD1' ' A' ' 21' ' ' ASP . 8.4 ptp180 -93.86 142.31 27.52 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.776 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -119.17 143.34 47.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -97.73 112.82 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -99.73 109.36 21.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 19.5 m -110.21 110.84 21.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.879 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 51' ' ' LEU . 50.2 tp -126.66 135.4 51.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 p -97.93 -179.04 4.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 32.19 83.39 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.637 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' HA ' HG22 ' A' ' 46' ' ' THR . 43.5 t -97.34 116.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.749 0.309 . . . . 0.0 110.333 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -75.12 -47.38 28.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.832 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -169.55 150.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.15 119.69 32.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 91.2 mt-30 -73.8 -45.3 52.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.603 0.716 . . . . 0.0 110.147 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.9 t -138.39 127.7 24.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.409 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -120.87 104.16 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 40' ' ' LYS . 19.0 t70 -130.58 147.59 66.62 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.33 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 38' ' ' ASP . 9.4 Cg_endo -51.5 -12.79 1.09 Allowed 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.574 2.849 . . . . 0.0 114.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 40' ' ' LYS . 10.7 ptpt -140.19 13.64 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.35 -0.54 . . . . 0.0 112.388 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -156.47 120.7 4.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.619 0.247 . . . . 0.0 110.436 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 53' ' ' ILE . 71.7 mt -134.7 117.63 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.602 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.9 mt -102.03 106.21 17.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.373 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 51' ' ' LEU . 85.2 mt -93.72 110.39 22.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.064 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 3.1 tm-20 -81.13 106.15 12.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 31' ' ' VAL . 59.0 p -111.75 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.0 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -33.03 -56.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.323 1.015 . . . . 0.0 113.56 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -140.14 37.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 111.509 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' HA3' ' HG2' ' A' ' 82' ' ' PRO . . . 170.36 162.02 21.93 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.716 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.06 130.06 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 110.548 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 44' ' ' LEU . 51.4 tp -94.94 117.18 29.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.767 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' HD23 ' A' ' 43' ' ' LEU . 14.3 m -92.09 106.18 18.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.31 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 55.8 mt -97.07 120.29 46.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.277 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -123.38 135.94 54.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.697 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 172.59 -149.95 12.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.059 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -135.59 145.49 46.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 122.326 0.25 . . . . 0.0 110.674 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.78 44.23 8.84 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.502 0.501 . . . . 0.0 111.727 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 10.3 mp -76.74 73.11 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 60' ' ' ILE . . . -113.75 178.64 18.51 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.219 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 2.6 mp 72.38 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.271 0.558 . . . . 0.0 111.166 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -177.76 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.552 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 73.49 123.55 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -167.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -57.17 -42.8 81.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -166.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -57.91 157.92 7.15 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.711 0.767 . . . . 0.0 112.502 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 tp -110.44 105.04 13.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.209 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -55.5 -47.15 76.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.99 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.82 -66.84 0.07 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.309 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.66 65.78 0.22 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.496 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -153.42 141.98 20.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.718 -0.284 . . . . 0.0 110.63 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.09 132.75 70.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.231 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.88 107.22 9.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 10.7 p -130.01 147.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.653 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -115.39 144.23 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.258 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.67 38.95 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.301 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -96.05 72.86 2.96 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 13.0 pt -78.53 131.8 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.544 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 15.0 m-20 -97.08 -40.04 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.807 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' B' ' 154' ' ' LEU . . . -137.32 134.15 35.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 112.14 -175.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 84.0 mt -121.38 113.97 20.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 172.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' HD12 ' A' ' 51' ' ' LEU . 61.9 t -117.29 115.5 48.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.712 0.291 . . . . 0.0 111.483 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.619 ' CD1' ' HD2' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -103.21 141.26 22.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.619 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 59.4 Cg_exo -52.58 107.51 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.862 2.374 . . . . 0.0 113.458 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.4 tp -143.08 -51.6 0.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 59.55 -115.56 0.75 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.859 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 70.81 -56.03 0.63 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.66 0.784 . . . . 0.0 111.3 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -108.17 3.43 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 0.0 109.947 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -75.6 118.51 18.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -77.7 151.6 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.919 -175.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -68.2 -174.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.018 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.97 179.73 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.668 0.271 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' B' ' 93' ' ' ASN . 1.6 p-10 -75.23 -86.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 0.0 110.369 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.427 ' H ' ' CG ' ' B' ' 92' ' ' ASP . 0.2 OUTLIER -126.15 -26.56 3.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -69.52 130.8 43.46 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.233 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -115.49 143.9 44.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -102.0 112.85 25.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.7 tp -113.41 125.87 54.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.921 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 30.5 t -124.04 122.12 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.376 175.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.01 138.87 52.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.494 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HG2' ' B' ' 140' ' ' GLN . 65.5 p -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.349 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 9.27 68.54 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.79 139.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.769 0.318 . . . . 0.0 110.248 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.7 p -114.86 -39.56 3.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' B' ' 116' ' ' GLU . 58.3 mttp -140.12 150.84 44.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.41 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 114' ' ' LEU . 12.3 mm100 -63.89 -58.34 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' B' ' 114' ' ' LEU . 11.9 p -156.65 117.94 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' B' ' 132' ' ' LYS . 72.4 t80 -91.28 107.91 19.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 18.7 t70 -130.78 133.15 24.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.389 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' B' ' 129' ' ' LEU . 24.2 Cg_exo -66.37 14.1 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.248 2.632 . . . . 0.0 113.86 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.24 -34.22 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.988 0.423 . . . . 0.0 110.052 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 109' ' ' ASP . 45.4 tt0 -139.25 103.25 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 66.4 mt -93.87 114.09 29.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.214 0.53 . . . . 0.0 109.929 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.414 ' HB2' ' OG ' ' B' ' 107' ' ' SER . 81.6 mt -105.18 116.58 32.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.303 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.539 ' H ' HD13 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -132.77 151.08 52.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.366 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' B' ' 104' ' ' LYS . 26.0 tt0 -101.32 127.1 48.09 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 119' ' ' GLN . 5.2 t -123.53 146.62 47.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 47.41 -79.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 117' ' ' THR . 20.0 tt0 -148.75 11.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.495 . . . . 0.0 110.682 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.53 151.61 20.92 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.318 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 42.7 t -93.15 129.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 tt -106.43 146.29 30.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.667 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.693 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 30.2 t -115.66 120.34 39.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 111.404 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.3 mt -104.78 115.42 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.11 135.48 54.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.839 0.352 . . . . 0.0 111.437 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 171.95 -154.71 22.31 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.056 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -120.77 140.18 52.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 51.5 tttm 54.96 63.4 2.14 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.441 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 110' ' ' PRO . 10.5 mp -82.39 72.53 9.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.723 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.93 -178.73 34.75 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.119 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 55.0 mt 64.4 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.513 0.673 . . . . 0.0 109.993 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -94.31 105.67 17.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.83 -175.269 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -84.73 80.7 9.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 134' ' ' LEU . 2.0 pp -85.36 16.76 3.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.383 -172.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.78 85.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 0.0 110.876 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 tt -83.89 77.3 9.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -137.56 -59.28 0.68 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.891 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -91.45 -3.89 56.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.725 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.18 50.69 49.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.427 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' B' ' 100' ' ' THR . 26.0 mt-30 -131.71 136.32 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 8.5 p -139.87 129.98 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.298 0.57 . . . . 0.0 111.955 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -111.75 142.9 43.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.934 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 12.7 p -143.56 146.23 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.567 0.222 . . . . 0.0 110.825 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -121.58 131.49 54.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 160.67 -178.97 36.46 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.21 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 146' ' ' LEU . 4.1 mp -87.98 74.1 9.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.05 0.452 . . . . 0.0 110.017 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.8 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 31.8 pt -74.29 132.95 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.422 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.12 -24.52 14.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.09 148.3 25.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.488 0.661 . . . . 0.0 112.134 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.459 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 96.9 mt -124.65 120.15 31.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.322 172.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.5 t -113.14 116.37 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.089 0.471 . . . . 0.0 111.62 -173.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.425 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -116.37 110.09 43.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.68 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.87 88.04 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.759 2.306 . . . . 0.0 112.751 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . 3.2 tm? -85.73 -44.21 12.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.47 103.87 13.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -76.13 147.11 38.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.447 -172.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -67.68 98.65 0.72 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.17 139.9 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 63.45 98.52 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 O-C-N 124.038 0.836 . . . . 0.0 112.394 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.25 83.54 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.459 . . . . 0.0 111.275 174.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.153 172.218 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.581 ' O ' HD13 ' B' ' 118' ' ' ILE . 25.3 t70 -77.67 84.35 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HB2' HD22 ' A' ' 75' ' ' LEU . 15.8 m120 -118.96 -3.96 10.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.633 -178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -88.92 99.97 12.82 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.742 0.782 . . . . 0.0 109.989 -177.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 76' ' ' ILE . 78.1 mt-30 -95.05 155.13 16.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.05 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.23 111.68 23.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.0 tp -99.79 107.84 19.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.024 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 15.9 m -110.27 122.81 48.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.937 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 29' ' ' THR . 45.2 tp -137.95 159.79 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.087 0.47 . . . . 0.0 110.624 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.46 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -130.18 159.35 37.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.416 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.06 33.02 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.35 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.427 HG11 HD22 ' A' ' 44' ' ' LEU . 59.1 t -90.82 123.76 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -98.38 -33.99 10.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 24.5 ttmt -157.4 153.09 26.66 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.865 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -104.69 121.25 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.29 -49.75 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -147.46 138.12 23.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.721 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -120.34 105.13 10.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.247 0.546 . . . . 0.0 111.059 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -133.91 142.07 42.11 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.82 -10.42 5.47 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.079 2.519 . . . . 0.0 113.413 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -95.6 -31.3 13.35 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 33.6 tt0 -158.97 125.59 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 -174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.5 121.55 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.001 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.94 105.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.553 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 31' ' ' VAL . 94.5 mt -97.75 118.03 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 31.2 tt0 -79.92 112.87 17.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 p -99.69 173.55 6.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.374 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -35.55 -55.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.377 1.048 . . . . 0.0 111.804 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -139.96 72.42 1.4 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.288 0.566 . . . . 0.0 109.644 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.17 -169.38 36.73 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.635 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.3 t -139.03 126.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 tp -96.96 111.18 23.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.713 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 41.3 t -90.39 101.76 14.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.711 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 46.2 mt -89.58 110.39 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -108.73 137.75 46.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 169.82 -138.34 4.98 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.306 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.601 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 25.0 tt0 -157.59 152.29 25.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 34.7 mmtp 65.8 29.64 10.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.595 0.236 . . . . 0.0 110.473 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD21 HG22 ' A' ' 53' ' ' ILE . 8.3 mp -70.49 73.24 0.52 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.611 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.74 114.01 4.28 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.052 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 7.4 tt -92.69 100.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.386 0.612 . . . . 0.0 110.413 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -87.84 77.36 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -167.24 139.49 3.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.521 -1.218 . . . . 0.0 107.864 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD21 ' HE3' ' A' ' 66' ' ' LYS . 1.9 pt? -60.56 162.54 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.97 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.4 tp 70.46 -61.93 0.45 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.841 0.856 . . . . 0.0 113.204 171.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.69 ' HE3' HD21 ' A' ' 63' ' ' LEU . 38.1 ttmt 66.92 -81.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.569 0.748 . . . . 0.0 110.96 -173.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.0 10.82 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.663 0.268 . . . . 0.0 111.431 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.49 26.34 6.24 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -113.84 124.2 51.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 72' ' ' VAL . 11.3 p -118.58 134.85 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.007 0.432 . . . . 0.0 111.075 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 60' ' ' ILE . 36.1 mt-10 -129.64 106.28 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.55 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG23 HG22 ' A' ' 70' ' ' VAL . 59.5 t -117.24 126.0 74.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.653 0.263 . . . . 0.0 110.609 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -115.48 125.79 53.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 172.99 -175.45 45.93 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.923 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 22' ' ' ASN . 42.0 mt -87.3 83.8 7.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.492 HD11 ' OE1' ' A' ' 24' ' ' GLN . 39.4 pt -72.54 145.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.29 0.567 . . . . 0.0 110.587 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.454 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 35.2 t70 -113.11 -45.81 3.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.477 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.66 163.45 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 87.9 mt -131.07 125.74 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 59.5 t -117.28 128.08 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.603 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 0.6 OUTLIER -132.66 112.43 13.83 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.93 125.89 20.6 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.937 2.425 . . . . 0.0 111.958 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.6 pt? -138.49 -7.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.13 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.5 mp0 -64.36 -90.31 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 -175.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.436 ' H ' ' HB2' ' A' ' 84' ' ' GLU . 11.6 m170 -158.68 121.85 3.79 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -132.3 161.39 33.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.114 0.483 . . . . 0.0 110.803 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -111.94 -177.58 3.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -106.12 -90.8 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 175.53 136.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.27 176.496 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 10.9 tmm? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -166.84 147.05 5.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.569 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -89.89 1.24 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -77.84 89.81 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -89.89 146.4 24.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.98 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.97 112.19 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.686 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.7 107.27 18.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.35 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 14.9 m -104.42 122.99 46.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.177 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 122' ' ' LEU . 36.0 tp -127.7 132.92 49.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -109.45 125.58 52.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.107 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.55 4.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.172 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.432 HG11 HD22 ' B' ' 115' ' ' LEU . 27.6 t -84.36 144.02 10.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -106.6 -47.8 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.656 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -149.78 146.63 27.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.19 119.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 171.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -77.47 -41.8 38.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.431 . . . . 0.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -150.96 132.9 15.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.816 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -116.96 105.81 12.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.221 0.534 . . . . 0.0 110.267 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.35 140.71 36.87 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.61 -16.9 11.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.777 2.318 . . . . 0.0 113.522 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -118.74 1.39 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.585 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 36.5 tt0 -163.34 120.62 1.86 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.066 0.46 . . . . 0.0 111.7 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.457 HG13 HD23 ' B' ' 129' ' ' LEU . 62.0 mt -116.59 125.11 73.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 94.3 mt -103.33 104.2 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.461 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.485 HD12 HD23 ' B' ' 122' ' ' LEU . 93.3 mt -98.82 115.52 28.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.091 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.77 116.16 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.3 t -124.26 -177.75 3.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.76 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.633 HG22 ' HG3' ' B' ' 119' ' ' GLN . 41.2 mt -34.25 -68.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.027 1.331 . . . . 0.0 113.474 -171.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.633 ' HG3' HG22 ' B' ' 118' ' ' ILE . 24.5 mt-30 -129.55 49.28 2.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.736 0.303 . . . . 0.0 110.73 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.87 -169.6 40.89 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.459 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.651 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 61.1 t -132.0 140.23 48.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 99' ' ' LEU . 59.6 tp -104.13 114.9 29.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.519 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.6 t -98.78 104.55 16.61 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 24.8 mt -95.23 115.8 35.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.23 140.39 47.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.29 -137.07 4.65 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 156.72 34.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 65.21 32.51 9.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 0.0 110.439 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.457 HD23 HG13 ' B' ' 113' ' ' ILE . 7.9 mp -74.26 75.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.756 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.62 -129.77 1.09 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.215 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' B' ' 144' ' ' GLU . 73.2 mt 70.68 120.1 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.516 ' HD3' ' HB2' ' B' ' 133' ' ' HIS . 0.2 OUTLIER 75.95 -46.23 0.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 165.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.516 ' HB2' ' HD3' ' B' ' 132' ' ' LYS . 3.3 m170 -137.06 93.8 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.635 -0.665 . . . . 0.0 111.829 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.442 HD23 ' O ' ' B' ' 134' ' ' LEU . 6.3 tt -96.28 -36.02 11.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.628 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.51 128.15 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.223 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.581 HD12 ' HA2' ' B' ' 139' ' ' GLY . 2.6 pt? -86.26 -3.44 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.048 0.217 . . . . 0.0 111.476 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.7 tptm 54.27 -93.56 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.361 0.664 . . . . 0.0 112.102 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -98.93 -11.97 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.079 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLY . . . . . 0.581 ' HA2' HD12 ' B' ' 136' ' ' LEU . . . 138.88 9.42 0.97 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.623 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -112.11 110.33 20.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 15.0 p -113.16 141.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.064 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -130.75 106.38 8.42 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.18 126.57 56.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 -175.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' GLU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 131' ' ' ILE . 78.7 mt-10 -113.6 129.32 56.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.599 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.29 38.59 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.532 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 62.3 mt -89.11 86.56 6.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.53 124.38 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.275 0.56 . . . . 0.0 110.646 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -94.8 -47.53 6.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.793 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -150.13 145.51 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.944 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.401 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 4.3 mm? -116.15 127.51 54.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.753 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.0 t -123.47 123.98 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.077 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 17.5 t80 -124.45 98.15 38.43 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.519 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.651 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 17.0 Cg_exo -69.45 146.82 63.31 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.681 2.254 . . . . 0.0 111.378 169.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.35 -174.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.054 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' B' ' 119' ' ' GLN . 29.4 tt0 -67.86 81.85 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.27 0.557 . . . . 0.0 110.014 176.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.61 129.45 34.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.554 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -89.45 99.6 12.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.171 0.51 . . . . 0.0 110.147 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -137.36 -15.23 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 18.6 m170 64.8 -175.27 0.17 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.788 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -117.1 125.14 50.8 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.534 -174.206 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.2 ttp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.658 0.265 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -83.32 -44.87 14.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -68.15 169.6 10.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.029 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 65.1 mtt180 67.34 94.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.346 0.593 . . . . 0.0 109.935 -171.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -106.08 157.89 17.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.98 112.55 24.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.73 109.38 20.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.74 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 m -116.62 131.25 57.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.238 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -140.71 137.6 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.665 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -105.85 148.02 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.787 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 -9.39 33.33 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.701 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.26 129.58 22.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -91.65 -43.98 9.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.697 ' HA ' HD21 ' A' ' 65' ' ' LEU . 23.1 pttm -166.24 170.6 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.4 t -102.77 129.15 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.889 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -84.89 -57.88 2.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.138 0.494 . . . . 0.0 110.528 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -124.97 132.16 53.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.69 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -123.58 105.33 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 111.133 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -132.73 140.8 38.88 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.15 -6.79 4.09 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.078 2.519 . . . . 0.0 113.62 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.53 0.3 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.81 105.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.819 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.89 132.44 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' SER . 92.5 mt -109.57 104.61 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.489 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 70' ' ' VAL . 93.3 mt -92.99 120.01 32.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.781 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.83 115.1 27.62 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -123.65 -168.57 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.776 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.18 105.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 112.172 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 61.97 18.98 10.37 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.986 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 157.31 28.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -121.04 125.31 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 58.7 tp -96.38 109.81 22.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.835 0.35 . . . . 0.0 110.239 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.633 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.7 t -89.26 103.49 16.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.116 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.2 mt -95.31 116.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.484 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -126.53 143.59 51.15 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.102 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 164.02 -137.78 4.94 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.245 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 134.82 46.16 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.442 0.297 . . . . 0.0 110.99 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 56.59 60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.776 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.55 72.04 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.22 102.87 1.75 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.644 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 tt -100.86 127.22 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.03 0.443 . . . . 0.0 110.232 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -93.64 -32.97 13.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.14 87.5 5.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.8 0.333 . . . . 0.0 111.181 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -95.74 -15.5 22.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 0.0 109.91 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.95 89.25 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.322 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 33' ' ' LYS . 57.1 tp -88.22 101.08 13.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.852 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -141.61 -34.48 0.48 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.05 -31.54 14.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 51.77 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.663 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -141.19 125.07 17.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 HD22 ' A' ' 44' ' ' LEU . 80.3 t -108.04 138.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.52 106.57 6.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.409 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.45 136.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.98 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -120.74 125.55 47.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.461 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 163.49 -166.22 37.12 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.135 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.2 mt -89.24 97.19 11.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -86.36 110.37 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.094 0.473 . . . . 0.0 110.26 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 1.1 m-20 -86.27 -39.35 16.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.27 161.36 42.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 111.471 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.452 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 96.9 mt -139.93 118.24 12.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.118 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -115.21 120.55 64.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 11.9 t80 -132.24 107.35 13.52 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.0 115.65 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.479 2.12 . . . . 0.0 111.259 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.927 ' HB3' ' HB2' ' B' ' 149' ' ' ALA . 0.0 OUTLIER -77.79 156.7 30.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 -177.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 11.1 tt0 -114.49 -35.68 4.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.352 178.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' A' ' 86' ' ' HIS . 34.8 t-80 71.03 -67.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.813 0.696 . . . . 0.0 109.203 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 85' ' ' HIS . 43.6 t-80 170.46 95.61 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.447 0.699 . . . . 0.0 109.338 173.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' HD2' ' CD ' ' A' ' 84' ' ' GLU . 20.0 p80 -74.78 139.39 43.28 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.305 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -76.69 170.09 17.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.858 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.5 t60 69.08 127.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.011 0.819 . . . . 0.0 111.053 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.303 177.234 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.438 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 121.58 0.705 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -172.72 -132.95 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.765 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -75.42 -18.4 59.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -75.82 112.64 12.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -98.75 135.25 40.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.834 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.47 113.6 25.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.521 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.78 116.7 32.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 11.5 t -113.6 133.57 55.21 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.81 141.2 34.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.679 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 58.7 p -115.53 19.18 15.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -126.85 34.9 3.01 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.668 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 44.3 t -100.08 140.62 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -105.01 -40.28 5.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.798 ' HA ' HD21 ' B' ' 136' ' ' LEU . 39.9 ttmt -165.57 163.09 19.41 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.627 HG12 HD23 ' B' ' 115' ' ' LEU . 33.8 m -100.57 125.64 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.083 0.468 . . . . 0.0 110.13 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -79.75 -55.03 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.216 0.531 . . . . 0.0 110.032 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.1 m -130.8 118.61 21.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.051 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -105.26 105.72 15.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.87 140.43 37.66 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.14 -23.78 30.62 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.851 2.367 . . . . 0.0 113.854 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 30.4 mttp -102.83 -15.21 16.3 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 29.4 tt0 -161.75 117.3 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.198 0.523 . . . . 0.0 111.294 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.91 129.94 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.265 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -100.36 100.43 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.192 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.627 HD23 HG12 ' B' ' 105' ' ' VAL . 95.4 mt -89.14 118.74 29.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.113 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.62 103.93 12.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 57.3 p -84.66 -164.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 118' ' ' ILE . 37.3 mt -56.29 91.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.454 0.471 . . . . 0.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 62.23 10.93 4.1 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.482 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.94 -172.86 13.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.452 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 20.8 t -136.99 132.18 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.65 0.262 . . . . 0.0 110.473 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 66.2 tp -115.02 116.09 27.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.718 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.5 t -90.31 112.91 24.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 0.0 110.31 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -92.55 116.0 32.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -113.01 138.26 50.15 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.276 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.733 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 160.94 -163.61 34.33 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.508 ' HG3' ' HE3' ' B' ' 111' ' ' LYS . 4.0 mp0 -117.08 144.32 44.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.884 0.342 . . . . 0.0 110.687 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 57.31 50.25 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.012 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.12 72.1 1.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.257 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -89.18 119.79 5.55 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.757 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.666 HG12 HG22 ' B' ' 143' ' ' VAL . 58.5 mt -73.52 119.82 21.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.965 0.412 . . . . 0.0 110.014 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -79.76 -45.46 18.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.246 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -88.78 82.17 6.85 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.19 77.87 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -168.92 122.81 0.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.798 HD21 ' HA ' ' B' ' 104' ' ' LYS . 34.7 tp -93.74 -3.38 52.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.06 0.457 . . . . 0.0 110.633 -175.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' B' ' 138' ' ' ALA . 64.9 tttp -68.81 141.91 55.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 137' ' ' LYS . . . 78.15 -14.61 0.84 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.027 0.829 . . . . 0.0 110.811 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.05 79.81 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.537 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 70.2 mt-30 -105.41 117.33 33.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.0 p -118.95 151.74 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 0.0 110.951 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -139.37 110.76 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.666 HG22 HG12 ' B' ' 131' ' ' ILE . 45.8 t -115.47 131.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.714 0.292 . . . . 0.0 110.663 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.13 131.72 56.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.2 -174.26 46.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.777 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.4 71.4 3.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.733 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 14.4 pt -75.15 134.52 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.441 0.638 . . . . 0.0 111.834 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.53 -29.76 11.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.887 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.927 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . . . -156.91 160.8 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 112.837 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.525 HD21 HD12 ' B' ' 147' ' ' ILE . 3.8 mm? -136.06 118.04 15.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.564 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 53.7 t -117.13 113.33 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.943 0.402 . . . . 0.0 111.32 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.452 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -125.2 107.98 27.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.273 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.452 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 74.4 Cg_endo -75.11 174.48 12.72 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.004 2.47 . . . . 0.0 112.662 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.37 109.85 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.342 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.64 -70.36 0.26 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.806 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.5 141.05 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -96.52 16.18 19.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.12 0.486 . . . . 0.0 110.807 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -111.32 112.11 23.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -136.36 110.95 8.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.247 0.546 . . . . 0.0 110.133 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -66.08 -22.29 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.774 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.56 172.713 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.417 ' HG2' ' H ' ' A' ' 21' ' ' ASP . 5.2 ttt . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' H ' ' HG2' ' A' ' 20' ' ' MET . 5.5 m-20 72.15 168.42 0.31 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.785 0.802 . . . . 0.0 112.419 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.69 27.21 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 79.9 mtt180 -73.89 108.33 6.64 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.793 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HB2' HD11 ' A' ' 76' ' ' ILE . 80.1 mt-30 -106.95 143.42 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.656 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.72 112.6 24.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -107.43 133.61 51.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.653 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.699 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 32.2 t -132.72 117.05 17.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 tp -124.66 132.42 53.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 69' ' ' GLN . 30.4 p -101.65 122.76 44.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.4 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.17 27.73 1.79 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.05 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 44' ' ' LEU . 61.2 t -94.07 128.15 45.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -100.53 -17.38 17.13 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -169.0 153.59 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.804 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 m -103.94 109.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 24.2 mt-30 -69.9 -55.0 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -174.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 m -133.94 119.74 19.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.013 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -93.33 105.41 17.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.265 0.555 . . . . 0.0 110.035 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.547 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 14.6 t70 -131.21 132.98 24.05 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 26.6 Cg_exo -62.89 -9.67 17.44 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.793 2.329 . . . . 0.0 113.453 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -117.95 -1.99 11.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 111.269 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 44.2 tt0 -168.26 108.1 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.192 0.52 . . . . 0.0 111.498 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 HD23 ' A' ' 58' ' ' LEU . 65.9 mt -104.27 122.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.187 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -94.95 106.46 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 91.6 mt -91.49 122.53 34.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 43.7 tt0 -94.07 116.08 28.47 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -106.76 178.24 4.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.537 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.62 HG13 ' H ' ' A' ' 48' ' ' GLN . 8.2 pt -30.51 -57.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 124.669 1.231 . . . . 0.0 113.033 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' H ' HG13 ' A' ' 47' ' ' ILE . 24.6 mm-40 -147.8 58.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.355 0.598 . . . . 0.0 110.339 173.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.19 -179.71 41.89 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.923 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.84 121.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 59.3 tp -96.39 107.58 19.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.719 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -89.2 103.15 15.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 50.4 mt -89.59 114.16 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -109.58 144.99 37.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.62 -146.94 14.73 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.891 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -141.15 154.14 45.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.664 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 11.0 tmtt? 60.77 49.14 6.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.628 0.728 . . . . 0.0 109.04 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG13 ' A' ' 42' ' ' ILE . 7.9 mp -80.7 72.14 7.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.379 0.609 . . . . 0.0 110.277 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.46 96.46 1.02 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.121 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 HD11 HG13 ' A' ' 70' ' ' VAL . 9.4 tp -68.29 139.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 67.9 mttm -90.93 106.36 18.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 37.2 m80 75.18 119.7 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.367 1.042 . . . . 0.0 110.379 -170.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.0 -37.88 89.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.99 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.8 137.38 32.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.7 pt? -53.44 123.24 11.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 0.0 110.091 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -61.17 -62.09 2.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.445 -172.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -168.01 84.21 0.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.544 0.212 . . . . 0.0 110.624 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.86 -40.0 0.8 Allowed Glycine 0 CA--C 1.523 0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 113.211 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.646 ' HG2' HG22 ' A' ' 29' ' ' THR . 59.4 mt-30 -87.58 134.36 33.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.76 0.314 . . . . 0.0 110.585 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG13 HD11 ' A' ' 60' ' ' ILE . 53.5 t -114.6 122.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.519 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.39 127.37 53.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.04 142.95 37.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.646 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -128.81 136.44 50.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.969 0.414 . . . . 0.0 110.432 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 154.58 -164.02 31.44 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.574 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.56 67.24 10.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 24' ' ' GLN . 25.2 pt -74.57 118.78 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.395 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -87.92 -55.68 3.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.096 -173.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.6 149.8 39.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.218 0.532 . . . . 0.0 111.56 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.558 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 79.9 mt -115.9 122.39 45.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.013 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.719 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 59.5 t -108.81 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.897 0.379 . . . . 0.0 110.692 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 0.2 OUTLIER -115.8 99.53 52.64 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.367 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.36 153.46 18.36 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.084 2.523 . . . . 0.0 112.2 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.2 mt -99.04 138.38 36.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.004 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.32 -45.49 62.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -77.29 83.42 3.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.49 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 73.7 t60 -170.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.864 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 86' ' ' HIS . 17.7 t-80 175.99 -46.7 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.632 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -67.65 114.33 6.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.011 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -86.69 114.49 23.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--O 1.249 1.038 0 O-C-N 123.901 0.751 . . . . 0.0 110.077 -174.402 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.625 0.25 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -95.72 81.82 3.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.25 0.548 . . . . 0.0 109.988 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -89.91 -8.77 51.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -81.72 93.2 6.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.259 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.91 141.67 28.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.973 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -98.0 116.71 30.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.7 tp -109.66 110.81 21.96 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.699 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 15.4 m -104.28 114.3 28.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.878 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.47 150.69 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.327 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.563 HG22 ' HG2' ' B' ' 140' ' ' GLN . 3.3 p -125.21 158.25 34.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.895 176.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.05 58.74 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.686 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' B' ' 139' ' ' GLY . 57.8 t -58.8 106.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.153 0.501 . . . . 0.0 110.195 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -94.85 -27.1 15.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.547 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 87.9 tttt -158.9 155.24 27.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.638 0.256 . . . . 0.0 110.624 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.22 126.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -92.21 -59.74 2.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.979 0.418 . . . . 0.0 110.908 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -141.23 139.18 33.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.272 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.494 ' HE1' HG13 ' B' ' 131' ' ' ILE . 84.1 t80 -114.13 105.52 13.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 13.0 t70 -133.79 136.24 26.22 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 42.7 Cg_exo -58.45 -16.01 27.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.672 2.248 . . . . 0.0 113.477 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -108.63 -6.73 15.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 44.5 tt0 -165.21 113.38 1.01 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 111.278 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.522 HG12 HD23 ' B' ' 129' ' ' LEU . 41.0 mm -103.88 125.32 58.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 123' ' ' SER . 89.2 mt -102.14 107.18 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.055 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' B' ' 113' ' ' ILE . 96.1 mt -108.97 126.28 52.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 27.1 tt0 -87.25 104.65 16.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.2 t -94.5 -163.85 1.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.5 mt -52.44 93.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 61.68 21.24 12.0 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.058 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.65 160.76 28.61 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.107 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.07 125.34 73.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.199 0.5 . . . . 0.0 111.033 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' B' ' 152' ' ' TYR . 41.8 tp -95.99 126.19 41.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.793 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 42.2 t -101.44 106.24 17.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.82 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 57.6 mt -90.66 110.35 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.49 ' HE3' ' HB3' ' B' ' 149' ' ' ALA . 50.8 mtmt -105.44 125.55 51.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 176.07 -143.32 6.46 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.862 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.22 143.17 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 tttm 66.69 43.9 2.32 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.583 0.552 . . . . 0.0 110.647 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 113' ' ' ILE . 9.7 mp -73.96 73.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.64 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.66 123.24 9.83 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.788 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' B' ' 108' ' ' PHE . 25.3 mm -97.42 -42.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 0.0 110.194 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 66.35 14.99 9.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.83 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -164.63 126.46 2.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.378 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.28 -9.62 32.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.087 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.63 140.27 39.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.038 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 42.4 tp -96.06 92.63 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -55.0 -48.65 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.834 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -176.03 -60.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.595 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 102' ' ' VAL . . . -172.9 46.15 0.17 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.666 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.563 ' HG2' HG22 ' B' ' 100' ' ' THR . 56.0 mt-30 -138.44 136.03 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.415 HG12 HG21 ' B' ' 102' ' ' VAL . 12.8 p -148.81 136.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.142 0.496 . . . . 0.0 111.083 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.51 113.98 21.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.273 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 19.3 m -109.49 151.93 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.44 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.79 139.3 46.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.97 -170.88 41.61 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 60.0 mt -95.57 79.97 3.42 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.693 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 29.1 pt -87.87 139.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.029 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.55 -33.47 9.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.904 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.49 ' HB3' ' HE3' ' B' ' 125' ' ' LYS . . . -161.13 151.07 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 112.14 -177.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.431 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 71.9 mt -118.97 132.21 56.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.346 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.793 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 58.7 t -109.72 111.47 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.788 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.599 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -112.1 129.49 24.22 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.38 177.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -86.06 -171.69 0.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.769 2.313 . . . . 0.0 112.48 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 64.3 mt 67.7 13.98 9.38 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.735 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 135.73 48.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.305 0.574 . . . . 0.0 112.055 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -90.72 171.86 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.567 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -133.89 111.0 10.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.891 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -84.43 0.88 47.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 83.6 t60 63.98 89.0 0.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.966 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -168.02 142.81 3.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.852 178.099 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.857 0.361 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.94 125.63 5.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.501 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HA ' HG21 ' B' ' 118' ' ' ILE . 7.5 m120 -106.82 -39.4 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.3 ptm180 -88.76 137.81 31.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.791 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.55 149.05 43.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.099 -169.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.69 128.18 44.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD11 ' B' ' 97' ' ' LEU . 34.4 tp -115.7 115.81 26.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -113.71 122.3 46.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -131.65 142.23 49.8 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.778 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.6 p -113.76 150.79 32.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.873 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.1 39.95 6.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.921 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 70' ' ' VAL . 48.7 t -99.01 126.91 52.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.512 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -75.53 -51.44 12.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.91 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -172.93 170.95 4.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.101 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.47 117.13 46.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.214 0.531 . . . . 0.0 109.777 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -73.27 -59.2 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -125.74 117.5 23.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.561 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 50.5 t80 -107.11 106.25 16.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -130.34 139.78 36.66 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.92 -1.89 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.891 2.394 . . . . 0.0 113.748 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -131.97 1.95 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.26 -0.275 . . . . 0.0 111.507 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.14 102.67 1.12 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.147 0.498 . . . . 0.0 110.716 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.432 HG22 ' HG ' ' A' ' 44' ' ' LEU . 60.0 mt -107.22 117.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.996 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -101.35 99.51 9.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.077 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 70' ' ' VAL . 94.2 mt -95.15 125.56 39.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.08 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -88.99 116.12 27.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.621 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -114.94 -172.59 2.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.177 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.5 mt -32.56 -58.95 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.3 1.04 . . . . 0.0 113.644 -169.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -139.29 24.76 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.496 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 177.93 34.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.563 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.86 126.93 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -96.37 119.84 35.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.661 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 10.8 m -95.87 103.98 15.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.035 0.445 . . . . 0.0 110.548 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.485 HG22 HD21 ' A' ' 58' ' ' LEU . 48.4 mt -101.23 117.01 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.708 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -128.21 153.38 46.99 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.296 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.47 -144.83 10.81 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.116 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 54.1 mm-40 -118.08 135.28 54.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.192 0.197 . . . . 0.0 110.943 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.29 45.88 10.82 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 HG22 ' A' ' 53' ' ' ILE . 9.7 mp -74.58 72.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.05 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.65 -168.49 36.8 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.402 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.7 mm 74.56 83.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 123.925 0.89 . . . . 0.0 110.608 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 20.0 pttp -100.75 77.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.792 0.806 . . . . 0.0 110.599 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.67 80.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.523 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.84 84.73 3.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 66' ' ' LYS . 9.1 p-10 -107.84 -41.94 4.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt 58.01 75.38 0.38 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.708 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG2' ' OD2' ' A' ' 64' ' ' ASP . 46.4 mmtm -66.17 -72.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.318 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.26 18.15 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.458 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.64 61.52 1.69 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.995 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -129.94 144.93 51.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG12 HG21 ' A' ' 31' ' ' VAL . 14.6 p -141.93 143.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.716 0.293 . . . . 0.0 110.416 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.51 106.04 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.007 0.432 . . . . 0.0 110.062 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.45 173.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -139.81 161.15 38.25 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.995 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.73 33.08 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.592 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 7.8 mt -95.61 76.4 3.28 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 pt -67.06 134.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.302 0.572 . . . . 0.0 111.034 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.37 -43.6 6.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.76 147.23 24.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.433 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.7 mt -116.27 117.81 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.661 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 57.4 t -114.42 118.77 59.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 111.348 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 4.3 t80 -122.27 104.99 37.17 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.76 162.71 26.8 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.682 2.254 . . . . 0.0 112.866 -175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.97 -34.02 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 73.81 -42.39 0.51 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 164.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -79.58 25.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -166.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -133.34 89.07 2.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 169.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 7.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -163.85 88.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.778 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -83.29 -27.22 29.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.412 0.625 . . . . 0.0 109.399 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 117.58 -1.2 . . . . 0.0 108.185 177.581 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -79.66 76.6 6.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.964 0.888 . . . . 0.0 110.953 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -111.17 -34.77 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.143 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.92 137.11 41.47 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -107.89 151.19 26.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.965 0.412 . . . . 0.0 110.945 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -104.29 112.28 25.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.075 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.506 ' HB3' ' CG1' ' B' ' 143' ' ' VAL . 55.7 tp -108.83 120.56 42.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.82 0.343 . . . . 0.0 110.219 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 19.0 m -108.14 115.63 30.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.217 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 tp -112.47 125.66 54.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.83 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 61.7 p -99.6 113.68 26.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.727 0.299 . . . . 0.0 111.623 -175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.83 49.01 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.131 -1.033 . . . . 0.0 112.868 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 115' ' ' LEU . 48.7 t -103.3 121.94 55.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -93.36 -39.3 11.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -141.7 142.91 33.34 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.085 -174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' B' ' 135' ' ' ASP . 4.4 p -102.65 111.94 34.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 169.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -74.0 -32.98 63.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -152.56 129.39 10.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.091 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.693 ' HE1' HG12 ' B' ' 131' ' ' ILE . 88.2 t80 -110.75 103.33 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.169 0.509 . . . . 0.0 110.402 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 27.7 t70 -135.23 135.95 23.63 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.17 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 26.7 Cg_exo -63.44 -1.42 3.12 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.89 2.393 . . . . 0.0 113.983 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.557 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 44.8 mmtm -111.76 -19.68 12.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 111.471 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 24.9 tp10 -159.27 116.72 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.57 127.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.602 0.239 . . . . 0.0 110.491 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.1 mt -104.74 101.75 11.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.621 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 102' ' ' VAL . 87.3 mt -94.73 124.73 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -89.26 105.85 18.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.7 t -123.47 -164.97 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.42 ' H ' HG13 ' B' ' 118' ' ' ILE . 47.3 mt -53.32 98.11 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.186 0.594 . . . . 0.0 112.461 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 56.84 26.79 12.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLY . . . . . 0.438 ' HA3' ' OH ' ' B' ' 152' ' ' TYR . . . -165.48 171.31 40.7 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.85 126.71 68.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.31 122.25 38.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.607 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 23.1 m -95.08 102.89 14.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.004 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.496 HG22 HD21 ' B' ' 129' ' ' LEU . 47.2 mt -93.28 112.28 26.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.09 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -105.42 136.86 44.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 165.47 -162.19 35.57 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.292 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.605 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 33.1 mt-10 -121.89 150.86 41.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.48 0.181 . . . . 0.0 110.849 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.605 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 11.6 mptt 63.68 29.54 14.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.496 HD21 HG22 ' B' ' 124' ' ' ILE . 6.2 mp -69.88 73.94 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.483 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -103.37 139.78 14.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.181 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.693 HG12 ' HE1' ' B' ' 108' ' ' PHE . 18.3 mm -88.05 32.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.798 0.809 . . . . 0.0 109.205 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? 70.05 -68.17 0.21 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.618 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -164.68 52.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' B' ' 137' ' ' LYS . 12.7 tp -174.61 177.21 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.691 ' HB2' HG11 ' B' ' 105' ' ' VAL . 25.6 p-10 -99.15 -52.71 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 112.02 17.48 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 166.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.571 ' HA ' HD23 ' B' ' 134' ' ' LEU . 13.2 tmtt? -53.87 -50.17 66.88 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.211 -168.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -165.99 42.92 0.07 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.09 -44.89 3.43 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -89.39 130.44 35.75 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.57 128.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.009 0.433 . . . . 0.0 111.305 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.09 106.99 17.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.087 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' B' ' 97' ' ' LEU . 7.1 p -102.53 132.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 110.214 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.52 125.67 52.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.359 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.36 174.42 39.05 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.484 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.458 HD13 ' HD3' ' B' ' 128' ' ' LYS . 5.3 mp -91.52 87.83 6.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.627 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 30.4 pt -79.98 131.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.363 0.602 . . . . 0.0 111.621 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.472 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 14.9 m-20 -83.89 -39.82 19.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.36 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -164.06 154.29 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.413 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 89.2 mt -116.5 120.53 39.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 43.6 t -115.16 132.2 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.83 0.347 . . . . 0.0 111.041 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.44 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.7 t80 -129.01 116.88 19.04 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.78 112.08 1.16 Allowed 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.912 2.408 . . . . 0.0 112.428 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 tp -88.76 -38.87 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.357 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.51 86.26 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.03 -1.08 14.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.438 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -91.88 166.0 12.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -138.64 -177.99 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.304 -0.158 . . . . 0.0 110.71 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 107.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.414 0.446 . . . . 0.0 110.567 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -74.22 -25.52 59.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.111 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 40.1 t60 . . . . . 0 C--O 1.245 0.854 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.698 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.0 tpt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.065 0.46 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -95.96 62.22 2.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.677 0.751 . . . . 0.0 110.419 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -122.99 -28.77 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.726 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -72.21 117.45 13.86 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 120.834 0.349 . . . . 0.0 110.545 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.549 HE22 ' HB ' ' B' ' 117' ' ' THR . 88.9 mt-30 -105.87 163.93 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 49.1 t80 -121.42 126.93 50.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.922 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.75 125.46 52.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.919 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 33.0 t -118.47 110.55 17.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 31' ' ' VAL . 34.3 tp -110.45 124.57 52.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.757 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 48.6 m -112.43 99.04 7.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 -176.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.17 22.34 0.22 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.463 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 HD23 ' A' ' 28' ' ' LEU . 45.3 t -79.26 135.03 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -90.43 -51.45 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.37 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 45.8 mtmt -145.86 165.46 28.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 111.529 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 44' ' ' LEU . 17.8 m -105.23 118.9 53.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.114 168.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -82.71 -41.44 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 110.712 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 43' ' ' LEU . 26.7 t -150.22 154.05 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -134.02 104.09 6.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.877 0.37 . . . . 0.0 110.24 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.6 m-20 -122.05 146.68 47.08 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 28.0 Cg_exo -62.12 -12.02 24.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -125.37 8.11 7.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 36.8 tt0 -165.69 105.32 0.71 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.932 0.396 . . . . 0.0 111.324 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 50.4 mm -105.57 123.3 59.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 36' ' ' SER . 84.2 mt -101.97 102.7 13.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 0.0 110.727 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 34' ' ' VAL . 85.5 mt -100.57 127.94 46.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.16 116.52 27.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -118.89 -162.58 0.91 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.696 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -41.81 92.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.012 0.925 . . . . 0.0 112.429 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 49.74 24.5 1.25 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.883 0.873 . . . . 0.0 112.244 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.9 -173.28 22.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.215 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.504 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 39.7 t -132.74 140.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 tp -110.9 123.53 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.89 107.55 19.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.26 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 53.0 mt -89.31 115.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -111.3 140.91 45.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' OD2' ' A' ' 77' ' ' ASP . . . 163.26 -152.19 22.15 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -132.43 146.25 51.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.026 0.413 . . . . 0.0 109.997 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.06 49.69 7.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.407 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 42' ' ' ILE . 10.1 mp -72.34 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.445 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.57 8.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.804 -0.634 . . . . 0.0 113.701 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.787 ' HB ' HG12 ' A' ' 72' ' ' VAL . 7.9 tt -133.03 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.978 0.894 . . . . 0.0 108.842 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -83.63 106.1 15.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.631 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 55.63 85.07 0.07 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.062 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.14 -54.23 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.2 -166.7 0.21 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.526 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.86 79.31 7.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.13 -73.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.004 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.68 89.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.148 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.22 -50.15 4.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.754 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 29' ' ' THR . 50.7 mt-30 -81.72 119.89 24.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.35 . . . . 0.0 111.425 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.02 119.1 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -126.1 120.41 30.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.787 HG12 ' HB ' ' A' ' 60' ' ' ILE . 27.7 m -127.67 150.91 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.575 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.4 138.77 47.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -168.01 40.26 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.026 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.15 74.7 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 28.2 pt -76.95 122.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 0.0 110.868 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.553 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 48.4 m-20 -87.76 -40.98 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.384 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.7 152.27 26.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.359 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.545 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 84.2 mt -116.06 113.96 23.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.2 t -109.66 112.38 40.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 110.898 -175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 9.7 t80 -112.21 113.72 51.42 Favored Pre-proline 0 C--N 1.316 -0.853 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 57.3 Cg_exo -51.73 100.19 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 112.082 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.2 pt? -63.06 107.41 1.01 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.657 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -145.65 178.4 8.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -177.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.526 ' H ' ' CD ' ' A' ' 84' ' ' GLU . 21.8 p80 50.39 34.36 9.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.855 0.862 . . . . 0.0 112.062 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -121.43 166.46 14.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 179.12 -75.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -149.4 -60.12 0.21 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -160.93 -28.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m170 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 114.2 -1.363 . . . . 0.0 108.012 167.016 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.723 0.297 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -93.47 138.94 31.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -155.6 -34.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.703 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.1 132.61 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.387 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' ' 29' ' ' THR . 14.2 tt0 -127.25 153.84 45.62 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.887 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.757 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 48.6 m-85 -101.67 115.78 31.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.729 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.8 tp -111.24 109.76 19.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.918 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.919 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 4.8 m -111.5 112.78 24.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.412 HD22 HD22 ' B' ' 122' ' ' LEU . 49.6 tp -106.67 127.82 53.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 20.9 m -114.41 109.83 18.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.091 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 29.08 0.68 Allowed Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.844 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.62 144.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.3 m -107.88 -39.76 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.06 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -168.31 165.14 13.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 p -105.5 137.3 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.791 0.329 . . . . 0.0 110.266 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 45.3 mt-30 -90.49 -56.0 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.57 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.487 ' HB2' HD12 ' B' ' 114' ' ' LEU . 23.4 m -136.59 137.09 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' B' ' 113' ' ' ILE . 37.3 t80 -127.02 106.12 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.186 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.42 148.57 70.2 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 -17.99 51.43 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.695 2.263 . . . . 0.0 113.065 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -103.21 -15.23 16.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 43.6 tt0 -157.31 118.5 3.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.164 0.506 . . . . 0.0 111.591 -174.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.525 HG12 HD23 ' B' ' 129' ' ' LEU . 49.0 mm -109.13 123.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.599 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 107' ' ' SER . 94.9 mt -108.33 96.16 6.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.866 0.365 . . . . 0.0 110.445 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 93.7 mt -89.9 142.41 27.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.0 tm-20 -112.99 118.54 35.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.549 ' HB ' HE22 ' A' ' 24' ' ' GLN . 47.5 p -109.38 -174.34 2.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 20.1 pt -34.98 -43.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.063 0.945 . . . . 0.0 113.41 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -158.98 30.8 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.441 . . . . 0.0 110.228 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -148.93 172.22 29.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.743 -1.217 . . . . 0.0 113.133 -174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.438 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 31.8 t -125.72 139.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.164 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 66.2 tp -115.07 110.49 19.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.033 176.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -95.85 102.67 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.297 0.57 . . . . 0.0 110.241 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 41.3 mt -96.64 126.8 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.217 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -127.42 145.6 50.77 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 160.83 -142.42 8.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.578 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.695 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 45.2 mm-40 -123.92 136.51 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.626 0.251 . . . . 0.0 111.101 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 2.2 mptp? 54.03 51.4 14.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.74 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.525 HD23 HG12 ' B' ' 113' ' ' ILE . 7.1 mp -76.08 73.01 2.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.473 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.37 -121.44 0.61 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.01 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 3.5 mp 64.43 -73.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 123.326 0.65 . . . . 0.0 111.455 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -86.49 130.82 34.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.422 . . . . 0.0 111.328 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -171.07 164.86 7.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.027 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tt -148.9 -74.75 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -154.24 -175.15 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.556 HD13 ' O ' ' B' ' 136' ' ' LEU . 1.5 tm? -126.22 -26.26 3.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.639 0.199 . . . . 0.0 110.658 -177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.44 -30.8 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 111.578 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.2 70.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 92.23 -6.66 78.53 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.282 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.558 ' HB2' HG23 ' B' ' 100' ' ' THR . 50.2 tt0 -123.54 138.81 54.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.328 . . . . 0.0 110.636 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.43 136.32 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' B' ' 98' ' ' SER . 9.1 mp0 -106.38 118.55 36.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.08 146.05 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 110.463 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -119.92 139.58 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 174.68 -179.35 46.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.538 -1.315 . . . . 0.0 112.963 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 12.6 mt -95.02 89.09 5.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.27 118.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.527 0.68 . . . . 0.0 111.775 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.51 -43.46 12.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.76 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -156.08 164.25 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.905 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 96.1 mt -138.09 116.95 12.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.044 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.434 ' O ' ' HD3' ' B' ' 153' ' ' PRO . 61.9 t -119.61 119.36 60.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.545 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.545 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 2.5 t80 -108.58 98.59 29.17 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 12.3 Cg_exo -71.4 119.28 6.15 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.891 2.394 . . . . 0.0 111.881 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 48.9 tp -138.62 -73.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 150.89 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.657 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -131.12 88.84 2.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -82.68 85.74 6.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.967 -173.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 45.8 t60 64.05 -88.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.15 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -155.97 179.31 9.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -87.11 158.73 19.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.811 177.497 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.833 0.349 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.78 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 24.2 t70 -154.01 176.54 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -61.99 -25.75 67.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.032 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.78 ' HG2' ' HB3' ' A' ' 21' ' ' ASP . 15.6 ptp180 -69.53 108.26 3.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 109.63 174.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.566 HE21 ' HA3' ' B' ' 101' ' ' GLY . 51.8 mt-30 -109.35 172.97 6.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.609 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -105.97 112.92 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.005 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -109.94 119.0 37.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.741 0.305 . . . . 0.0 110.384 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 23.3 m -122.27 121.43 36.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.235 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 97' ' ' LEU . 34.5 tp -133.66 138.25 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 -176.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.9 p -106.85 161.13 14.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.371 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.8 9.11 53.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.15 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.1 119.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -91.55 -30.53 16.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -165.15 148.73 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.983 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.82 123.36 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 mm100 -81.74 -55.99 4.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.921 -176.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -147.47 127.28 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -104.6 104.44 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.0 m-20 -132.63 138.91 33.1 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.572 175.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 15.6 Cg_exo -69.2 9.25 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.863 2.375 . . . . 0.0 112.166 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.2 mmtt -118.43 -16.16 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 9.6 tp10 -175.38 114.19 0.14 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.84 -173.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.593 HG22 ' HG ' ' A' ' 44' ' ' LEU . 58.2 mt -114.1 122.31 67.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.062 0.458 . . . . 0.0 110.478 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 35' ' ' GLN . 97.3 mt -102.29 105.13 15.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.2 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.593 ' HG ' HG22 ' A' ' 42' ' ' ILE . 94.9 mt -112.2 118.04 34.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.712 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 38.8 tt0 -88.76 112.47 23.22 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.542 0.687 . . . . 0.0 110.238 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -92.72 -161.43 0.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.379 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.706 HG21 HD22 ' B' ' 93' ' ' ASN . 11.2 mm -50.97 90.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 57.83 27.46 14.57 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.384 0.674 . . . . 0.0 111.536 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.61 4.98 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.693 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.54 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -95.82 127.09 48.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.226 0.513 . . . . 0.0 110.626 -176.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.9 tp -96.59 122.27 39.33 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.523 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.5 t -101.44 113.36 26.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.9 mt -109.92 109.64 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.34 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 2.2 tmmt? -105.1 139.55 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.882 0.372 . . . . 0.0 110.409 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 172.0 -151.74 15.6 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.89 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.08 150.99 41.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.475 0.179 . . . . 0.0 110.767 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.64 30.09 19.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.43 0.633 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . 11.5 tp -79.35 72.65 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.623 -1.172 . . . . 0.0 111.184 -175.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.98 128.99 9.7 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.79 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 15.6 tt -79.69 149.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.627 0.251 . . . . 0.0 110.722 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 73' ' ' GLU . 34.5 mtpt -103.03 -69.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -86.24 102.75 14.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.167 0.508 . . . . 0.0 109.691 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -96.23 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.158 -177.435 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.55 120.87 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.912 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.3 -64.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.5 tttm 62.92 -76.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 O-C-N 124.09 0.869 . . . . 0.0 111.786 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.1 2.3 6.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.082 0.468 . . . . 0.0 110.526 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.9 40.77 4.54 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.141 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.33 116.26 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 27' ' ' SER . 8.6 p -108.26 136.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.498 -176.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.44 112.22 16.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.858 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.5 144.79 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.76 0.314 . . . . 0.0 111.145 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 61' ' ' LYS . 67.4 mt-10 -111.95 154.22 25.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 142.88 179.29 19.5 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.527 170.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 22' ' ' ASN . 61.2 mt -79.6 86.6 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.929 -0.396 . . . . 0.0 109.929 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.0 pt -77.01 121.05 28.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.269 0.556 . . . . 0.0 110.182 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.75 -44.66 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.859 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -136.23 135.35 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.173 0.511 . . . . 0.0 111.857 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 4.5 mm? -115.96 119.11 34.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.776 173.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 57.8 t -125.96 126.45 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 6.2 t80 -125.54 102.04 29.94 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 73.2 Cg_endo -81.03 126.7 5.8 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.628 2.219 . . . . 0.0 111.646 174.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 86.4 mt -69.63 114.68 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 9.4 mm-40 69.15 145.9 0.05 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.095 0.872 . . . . 0.0 112.555 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -66.35 111.47 3.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 164.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -48.84 -72.21 0.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.584 0.553 . . . . 0.0 109.655 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 49.06 32.51 4.03 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.867 0.729 . . . . 0.0 112.455 165.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -83.29 -27.44 29.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -116.42 136.17 53.22 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.363 -0.827 . . . . 0.0 109.787 179.311 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.484 0.183 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.69 -172.4 0.15 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.634 0.731 . . . . 0.0 112.756 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.706 HD22 HG21 ' A' ' 47' ' ' ILE . 11.2 t-20 -166.35 -30.91 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.524 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -76.05 99.56 4.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.768 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 93' ' ' ASN . 54.7 mt-30 -97.54 149.75 21.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.011 0.434 . . . . 0.0 111.383 -170.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.22 115.08 29.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.845 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 28' ' ' LEU . 51.1 tp -108.37 109.41 20.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.993 0.425 . . . . 0.0 110.491 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 42.0 m -106.15 111.7 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.909 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.0 tp -118.45 126.54 52.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.418 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 28.2 m -108.19 113.32 26.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.566 ' HA3' HE21 ' A' ' 24' ' ' GLN . . . 136.49 8.86 1.44 Allowed Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.105 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.55 129.59 36.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -89.77 -44.02 10.27 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.929 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -166.52 172.26 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.762 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 115' ' ' LEU . 29.0 m -104.58 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -93.89 -54.0 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.265 0.555 . . . . 0.0 109.657 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -138.34 121.86 17.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.266 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -110.68 104.57 13.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -133.68 140.26 36.17 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.484 ' O ' ' HA ' ' B' ' 127' ' ' GLU . 50.2 Cg_exo -55.15 -18.33 17.47 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 113.581 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 23.8 mmtp -91.98 -21.96 20.25 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 37.4 tt0 -166.37 112.77 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.139 0.495 . . . . 0.0 110.411 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.52 119.86 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.207 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.17 99.93 11.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.153 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.47 HD23 HG12 ' B' ' 105' ' ' VAL . 90.5 mt -93.83 124.54 37.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.855 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -88.45 107.94 19.13 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.0 t -119.15 145.26 46.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 46.4 mm 51.0 -85.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 123.509 0.505 . . . . 0.0 111.094 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -155.36 43.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.48 -179.89 27.55 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.513 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 25.9 t -122.18 128.89 75.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 117.06 0.43 . . . . 0.0 111.207 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 63.6 tp -105.68 117.81 34.98 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 11.1 m -94.61 104.7 16.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 62.2 mt -91.92 109.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -103.35 143.79 32.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.174 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' B' ' 111' ' ' LYS . . . 155.05 -143.31 9.79 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 110' ' ' PRO . 13.6 pt-20 -161.02 170.4 20.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm 63.26 26.93 15.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.048 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.3 73.96 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.07 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.97 119.24 5.88 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.655 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.685 HG12 HD23 ' B' ' 134' ' ' LEU . 7.6 tp -101.63 -26.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp 68.48 -64.38 0.31 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.103 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -129.18 120.96 26.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.685 HD23 HG12 ' B' ' 131' ' ' ILE . 60.1 mt -84.08 102.87 12.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -158.01 128.99 6.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.023 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 83.0 mt -90.54 100.38 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.37 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -78.32 91.04 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.107 0.479 . . . . 0.0 110.65 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.57 11.32 3.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.501 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 114.64 -7.57 22.25 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.324 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 35.5 tt0 -92.46 127.74 38.06 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.391 -0.476 . . . . 0.0 110.542 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 14.0 p -134.5 140.24 46.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -122.64 116.65 24.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.605 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.599 HG22 HD13 ' B' ' 131' ' ' ILE . 42.8 t -118.16 131.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.171 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -114.88 125.23 53.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.876 0.369 . . . . 0.0 110.403 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -177.53 -177.55 46.46 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.985 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.499 HD22 ' OD1' ' B' ' 93' ' ' ASN . 44.9 mt -85.74 90.37 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.37 115.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.449 0.642 . . . . 0.0 110.84 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.33 -48.87 18.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -157.8 148.38 20.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.727 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.491 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 94.8 mt -116.09 114.34 24.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.23 128.96 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.473 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 4.9 t80 -118.23 113.12 37.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 63.0 Cg_exo -52.35 127.97 25.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.038 2.492 . . . . 0.0 112.674 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.58 -171.14 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.776 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -76.91 -13.29 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -70.75 122.96 20.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -65.97 169.45 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.97 -173.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -48.25 -44.01 32.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.455 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -67.77 93.56 0.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -121.01 13.07 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.153 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.543 -0.741 . . . . 0.0 109.866 175.182 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 65.61 -90.0 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.793 0.683 . . . . 0.0 110.973 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.551 ' HA ' HD12 ' B' ' 118' ' ' ILE . 5.1 m120 -151.08 -173.46 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 73.99 140.46 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.883 0.739 . . . . 0.0 111.507 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 15.3 mm-40 -124.02 143.36 50.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.1 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.49 112.95 25.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 172.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 99' ' ' LEU . 59.5 tp -119.07 132.99 56.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 0.0 110.849 -175.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -128.22 141.46 51.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.098 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 46' ' ' THR . 22.1 tp -136.33 152.21 50.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' B' ' 96' ' ' PHE . 7.7 m -125.38 149.5 48.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.59 0.233 . . . . 0.0 110.92 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.74 10.96 54.81 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.91 125.58 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.286 0.565 . . . . 0.0 111.314 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 t -83.7 -52.92 6.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.059 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -168.09 172.74 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.219 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 44' ' ' LEU . 29.8 m -95.9 135.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.098 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.8 mm100 -81.68 -57.4 3.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.444 0.64 . . . . 0.0 109.287 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 36.5 m -132.8 116.18 16.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.099 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -101.44 104.3 15.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -131.07 146.6 62.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.669 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.96 -17.36 43.98 Favored 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.86 2.373 . . . . 0.0 112.587 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.567 ' HB3' ' NZ ' ' A' ' 40' ' ' LYS . 8.7 mtpm? -108.94 -6.14 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.1 tt0 -169.24 123.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.0 111.199 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.409 HD12 HG11 ' A' ' 72' ' ' VAL . 67.5 mt -119.74 114.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.343 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 52' ' ' SER . 97.2 mt -91.21 114.09 26.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.93 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.584 HD13 HG11 ' A' ' 70' ' ' VAL . 95.6 mt -102.91 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.684 -175.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -90.48 100.76 13.54 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.509 HG21 HD21 ' A' ' 28' ' ' LEU . 9.9 t -124.84 147.09 48.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.938 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mm 43.27 -86.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.809 0.844 . . . . 0.0 113.148 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -141.12 13.35 2.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.581 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.76 156.9 26.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.704 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.4 t -105.92 124.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.308 . . . . 0.0 110.199 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.1 tp -95.99 126.77 41.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.618 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 16.0 m -98.66 101.38 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.336 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 63.2 mt -91.12 110.54 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OE1' ' A' ' 41' ' ' GLU . 63.5 mttm -105.34 146.32 29.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.62 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.26 -138.33 5.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.425 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -158.64 152.79 23.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 59.16 43.29 17.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.419 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.93 73.38 2.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.982 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.31 143.7 36.25 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.438 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.645 HG23 ' H ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -85.37 -48.35 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.486 -175.561 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.645 ' HD2' ' HG2' ' A' ' 73' ' ' GLU . 99.0 mttt 49.46 25.97 1.52 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.645 ' H ' HG23 ' A' ' 60' ' ' ILE . 20.6 t60 -149.03 153.7 38.25 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.38 75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.725 0.298 . . . . 0.0 110.864 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 45.88 -107.58 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.146 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.28 -31.26 5.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.0 tttp 70.81 -73.25 0.1 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.798 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.95 -60.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.7 0.286 . . . . 0.0 111.18 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.55 32.92 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.161 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -129.63 160.25 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.796 0.332 . . . . 0.0 110.64 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 44' ' ' LEU . 9.1 p -138.47 138.67 42.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -138.45 107.03 5.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 HD12 ' A' ' 42' ' ' ILE . 63.3 t -131.3 144.72 36.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.461 -174.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.645 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -128.62 169.86 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.89 -164.73 24.97 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.477 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.14 82.66 5.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.776 0.322 . . . . 0.0 110.394 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -76.89 131.58 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.187 0.517 . . . . 0.0 110.162 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -94.84 -43.77 8.06 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.989 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -157.3 158.23 35.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.002 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 93.9 mt -127.01 138.61 53.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.1 t -134.66 127.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.026 0.441 . . . . 0.0 112.141 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 51' ' ' LEU . 2.9 m-85 -119.42 123.67 28.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.379 167.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.87 -54.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.629 2.219 . . . . 0.0 111.414 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER 57.08 69.35 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.317 178.165 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 69.99 146.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.874 0.845 . . . . 0.0 112.556 169.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -80.99 52.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.381 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -83.09 -1.19 52.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.579 0.704 . . . . 0.0 109.914 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.43 136.94 38.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.502 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -89.02 -22.34 23.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 109.878 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -86.32 135.54 33.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.964 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.311 175.085 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 64.6 mtm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.98 44.02 28.93 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.71 -175.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.85 -22.59 66.55 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.921 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' B' ' 145' ' ' GLY . 35.9 mtt180 -69.64 99.81 1.37 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.619 170.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 144' ' ' GLU . 69.0 mt-30 -89.92 154.55 19.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.411 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 95.2 m-85 -96.61 112.74 24.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 48.1 tp -111.42 109.13 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 34.2 p -118.14 119.88 36.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 122' ' ' LEU . 48.2 tp -125.03 148.53 48.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.956 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 21.9 p -98.87 -173.37 2.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' B' ' 117' ' ' THR . . . 69.35 13.79 68.18 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.346 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.484 HG21 HG12 ' B' ' 141' ' ' VAL . 42.6 t -72.7 111.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.21 0.528 . . . . 0.0 110.108 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -95.58 -33.96 12.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.93 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' B' ' 116' ' ' GLU . 19.0 ptpt -168.53 162.41 12.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.018 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.57 118.73 53.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.997 0.427 . . . . 0.0 109.986 172.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.2 -41.44 63.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.5 t -150.94 127.16 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.75 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -115.37 105.14 12.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.221 0.534 . . . . 0.0 111.178 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' B' ' 111' ' ' LYS . 2.6 m-20 -126.56 150.45 70.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.576 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 28.8 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.158 2.572 . . . . 0.0 112.273 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 109' ' ' ASP . 18.6 ptpt -157.94 -34.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.605 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 13.1 tp10 -137.42 117.24 13.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.712 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.433 HD12 HD23 ' B' ' 129' ' ' LEU . 62.8 mt -123.81 121.77 63.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.846 0.355 . . . . 0.0 110.658 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 71.4 mt -101.01 100.61 11.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.205 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' B' ' 113' ' ' ILE . 93.3 mt -95.43 122.16 37.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.424 ' HB3' ' HG2' ' B' ' 104' ' ' LYS . 33.0 tt0 -90.41 122.74 33.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 49.3 p -121.74 -179.07 3.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.633 -171.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 22' ' ' ASN . 21.8 pt -33.15 -48.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.826 1.251 . . . . 0.0 114.209 -174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.447 ' N ' HG13 ' B' ' 118' ' ' ILE . 29.7 tt0 -155.71 49.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.52 171.74 39.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.321 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -124.04 130.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 99' ' ' LEU . 59.4 tp -97.2 123.74 41.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.59 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.875 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 47.4 t -98.59 104.46 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.731 176.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.552 ' HA ' HD13 ' B' ' 150' ' ' LEU . 38.3 mt -93.08 110.96 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.444 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 64.3 mttm -111.53 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.832 -177.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.549 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 176.1 -139.34 4.55 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -162.09 161.04 28.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 61.72 38.5 15.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.234 0.54 . . . . 0.0 110.228 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.433 HD23 HD12 ' B' ' 113' ' ' ILE . 8.1 mp -71.49 73.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.17 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.82 115.2 6.5 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.03 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 6.7 tp -92.06 121.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.409 . . . . 0.0 110.194 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -82.64 -23.96 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -145.26 127.73 16.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.34 -24.94 57.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.758 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -80.94 153.88 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.051 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.02 -54.47 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tptp 58.72 103.59 0.02 OUTLIER 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.26 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 67.34 -55.64 0.46 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.999 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 141.03 41.24 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.233 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -149.36 149.73 31.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.484 HG12 HG21 ' B' ' 102' ' ' VAL . 9.3 p -141.52 134.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.988 0.423 . . . . 0.0 111.227 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.66 114.71 27.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.387 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.84 149.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.497 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 95' ' ' GLN . 2.7 pp20? -130.34 130.18 44.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.086 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 145' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' B' ' 94' ' ' ARG . . . 173.15 -171.15 44.26 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.057 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 70.2 mt -86.88 97.96 10.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.7 pt -97.29 125.38 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.046 0.45 . . . . 0.0 111.191 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.549 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 13.3 m-20 -89.08 -51.97 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.352 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -145.22 143.5 30.31 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.163 0.506 . . . . 0.0 111.771 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' B' ' 124' ' ' ILE . 3.9 mm? -118.99 117.3 28.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.0 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.875 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.1 t -109.67 124.99 66.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.031 0.443 . . . . 0.0 111.531 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.624 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -122.89 131.48 24.36 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -49.31 122.55 8.76 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.031 2.487 . . . . 0.0 112.616 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.98 -39.32 91.78 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -127.96 146.28 50.7 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -98.82 112.28 24.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 110.785 -172.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -66.03 145.47 55.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.879 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -55.75 113.43 1.47 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.925 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -89.12 -30.41 18.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -173.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -122.31 -43.5 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.293 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.996 -1.002 . . . . 0.0 108.998 177.302 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -83.52 101.95 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.871 0.843 . . . . 0.0 110.236 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -158.89 -37.08 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.19 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 10.6 ptm180 -65.62 141.27 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.179 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -120.18 148.74 43.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -173.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.5 112.84 24.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.635 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.1 tp -104.6 111.36 24.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.098 0.475 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 14.9 t -113.25 127.58 56.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.56 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 51' ' ' LEU . 37.0 tp -141.08 152.52 44.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -120.67 153.32 37.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.41 23.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.958 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 60.7 t -83.56 120.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t -75.01 -45.26 43.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 11.5 ptpt -163.91 161.12 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.698 -177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.35 118.85 47.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -74.36 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.121 0.486 . . . . 0.0 110.244 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 p -137.74 122.84 19.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.427 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -102.04 104.44 15.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 12.5 t70 -132.49 133.58 23.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.95 -9.5 10.02 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.009 2.473 . . . . 0.0 113.948 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -111.03 -16.26 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.324 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 30.6 tt0 -163.27 104.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.073 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.27 123.14 59.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.395 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -101.17 101.55 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.44 . . . . 0.0 110.265 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.89 113.23 25.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.32 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 50' ' ' VAL . 37.4 tt0 -76.44 102.3 5.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -100.24 172.35 7.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.371 -173.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 93' ' ' ASN . 0.9 OUTLIER -56.08 109.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 70.1 -4.68 1.46 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.866 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -157.67 136.15 4.7 Favored Glycine 0 C--O 1.219 -0.804 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.935 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 45' ' ' GLU . 49.0 t -88.59 126.9 41.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.929 0.365 . . . . 0.0 110.382 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 28' ' ' LEU . 54.8 tp -93.2 119.45 32.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.259 0.552 . . . . 0.0 110.095 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.976 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -101.67 109.68 21.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.104 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 58' ' ' LEU . 34.3 mt -102.2 111.29 31.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.15 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -109.77 138.57 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 173.09 -138.67 4.78 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.958 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 tt0 -151.18 140.79 21.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 56' ' ' GLU . 1.5 mppt? 65.96 31.69 8.99 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.822 0.449 . . . . 0.0 111.713 -178.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 53' ' ' ILE . 7.7 mp -72.22 75.26 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.744 0.418 . . . . 0.0 111.837 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.9 169.87 14.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.566 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.786 HG23 ' H ' ' A' ' 61' ' ' LYS . 1.4 tt -148.75 -75.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.661 0.267 . . . . 0.0 110.725 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.786 ' H ' HG23 ' A' ' 60' ' ' ILE . 62.8 tttm -178.85 135.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.97 98.66 9.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.981 0.42 . . . . 0.0 111.232 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -147.35 -80.56 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -173.53 -179.78 1.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.74 0.75 55.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.459 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? 67.61 -85.21 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.63 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.14 16.92 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.593 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 101.71 4.23 52.18 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.162 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -108.48 121.16 44.38 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.97 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -125.67 105.26 8.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.29 137.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.1 148.03 36.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.75 175.46 37.59 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.01 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 23' ' ' ARG . 4.7 mp -95.76 90.49 5.68 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 pt -69.79 139.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.303 -171.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.22 -41.4 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' B' ' 154' ' ' LEU . . . -164.68 153.7 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.47 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD21 ' B' ' 122' ' ' LEU . 74.2 mt -116.34 128.29 55.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.976 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 71.4 t -117.34 116.23 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.01 0.433 . . . . 0.0 110.929 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.03 109.57 19.99 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 175.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.53 110.07 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.935 2.423 . . . . 0.0 112.334 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.882 ' HB3' ' HB2' ' B' ' 149' ' ' ALA . 0.4 OUTLIER -81.48 91.62 6.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.739 -178.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -141.22 88.62 2.17 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.763 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -139.72 97.42 3.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.8 t60 66.81 88.27 0.11 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.691 0.619 . . . . 0.0 110.304 -172.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 0.5 OUTLIER -83.34 117.59 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.432 -178.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 46.0 t60 178.42 -17.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.782 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 68.92 7.25 6.08 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.823 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.309 177.608 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.3 114.62 11.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.865 0.364 . . . . 0.0 110.517 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.721 ' HA ' HD12 ' A' ' 47' ' ' ILE . 37.2 m-80 -102.86 12.76 35.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.403 -177.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 94' ' ' ARG . 36.8 mtp-105 -80.16 107.28 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -101.59 142.59 32.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.35 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 83.9 m-85 -97.76 116.45 29.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.8 tp -112.45 112.76 24.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 32.4 t -112.7 135.07 53.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.761 176.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 tp -142.77 149.67 39.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.949 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.494 HG22 ' HB3' ' B' ' 140' ' ' GLN . 49.8 p -116.94 170.64 8.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.662 0.267 . . . . 0.0 110.543 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.33 16.74 73.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.839 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.551 HG21 HG12 ' B' ' 141' ' ' VAL . 38.4 t -74.51 115.7 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.274 0.559 . . . . 0.0 110.455 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -83.06 -38.18 22.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.182 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 9.5 ttmm -165.92 161.86 17.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' B' ' 104' ' ' LYS . 7.5 m -104.3 104.83 17.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' B' ' 114' ' ' LEU . 77.7 mt-30 -74.77 -49.85 19.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.31 -171.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -123.68 129.38 51.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -121.15 102.84 8.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.481 0.658 . . . . 0.0 110.524 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -133.86 142.57 44.05 Favored Pre-proline 0 C--N 1.316 -0.889 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.94 -23.67 9.32 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.562 2.175 . . . . 0.0 113.458 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.34 0.73 12.29 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -157.67 121.27 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.39 128.81 48.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.095 0.474 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' B' ' 123' ' ' SER . 88.8 mt -101.67 107.44 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.316 176.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.0 110.99 22.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.661 0.267 . . . . 0.0 110.485 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.36 114.04 13.44 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.1 t -122.14 -176.72 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.767 0.318 . . . . 0.0 110.305 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.72 117.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.98 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 71.32 7.54 6.11 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.037 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.68 -174.1 38.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.756 -1.211 . . . . 0.0 113.253 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 138.28 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.64 HD22 ' HD2' ' B' ' 152' ' ' TYR . 0.1 OUTLIER -96.06 105.45 17.49 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.951 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 33.4 t -86.84 101.54 13.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.45 HG22 HD21 ' B' ' 129' ' ' LEU . 32.4 mt -97.91 114.43 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -113.69 134.86 54.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 174.24 -137.59 4.05 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -151.39 149.42 29.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.029 0.414 . . . . 0.0 110.597 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 63.62 41.8 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.731 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.45 HD21 HG22 ' B' ' 124' ' ' ILE . 11.0 mp -76.42 72.74 3.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.763 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.3 122.51 11.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.366 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.735 ' HA ' HG12 ' B' ' 143' ' ' VAL . 42.0 pt -88.78 27.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.736 0.303 . . . . 0.0 111.411 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 67.33 -85.72 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.851 -174.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -150.74 -74.99 0.15 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.257 0.223 . . . . 0.0 110.56 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tt -176.16 123.1 0.18 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -142.32 -91.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.017 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' B' ' 136' ' ' LEU . 27.5 tp 61.77 21.61 12.35 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.8 0.44 . . . . 0.0 111.241 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -63.51 -51.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.27 11.19 39.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.459 . . . . 0.0 110.976 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.54 36.69 53.96 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.68 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' B' ' 100' ' ' THR . 20.5 pt20 -138.1 149.37 45.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.551 HG12 HG21 ' B' ' 102' ' ' VAL . 14.4 p -132.0 147.06 32.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.402 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -131.85 106.73 8.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' B' ' 131' ' ' ILE . 32.7 m -111.85 158.62 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.81 -175.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.13 127.26 26.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.237 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.68 -167.59 39.11 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.72 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.66 99.02 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.406 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 21.2 pt -93.6 150.89 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.138 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.87 -45.09 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.928 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.882 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . . . -140.83 145.47 36.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.965 0.412 . . . . 0.0 111.708 -176.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 98.6 mt -122.42 116.05 23.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.9 t -109.09 121.86 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.743 0.306 . . . . 0.0 110.848 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.64 ' HD2' HD22 ' B' ' 122' ' ' LEU . 30.7 t80 -123.37 120.14 27.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' B' ' 152' ' ' TYR . 12.2 Cg_endo -56.62 107.87 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.77 2.314 . . . . 0.0 111.781 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' B' ' 156' ' ' HIS . 55.0 tp -68.13 -42.65 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.717 -174.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 156' ' ' HIS . 38.6 tt0 71.63 -25.96 0.17 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.261 0.624 . . . . 0.0 111.703 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 156' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' B' ' 154' ' ' LEU . 11.9 m170 75.48 -62.63 0.44 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.728 0.811 . . . . 0.0 111.67 176.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -157.47 156.82 32.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.357 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' B' ' 159' ' ' HIS . 6.7 t-160 -82.05 53.94 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.015 -170.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 159' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' B' ' 158' ' ' HIS . 38.9 t60 174.16 89.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -128.89 101.1 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.904 0.383 . . . . 0.0 111.798 -172.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.569 170.853 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 mtm . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -161.37 89.72 0.78 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB3' HD12 ' A' ' 75' ' ' LEU . 27.8 t-20 -175.64 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.844 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 53.0 mtt180 -56.77 106.84 0.34 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.21 168.85 9.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.687 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 32.0 t80 -123.2 122.02 37.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.088 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD11 HD11 ' B' ' 97' ' ' LEU . 55.6 tp -123.82 126.14 45.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 28.9 t -121.33 117.67 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 46' ' ' THR . 33.0 tp -112.85 125.9 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.222 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 69' ' ' GLN . 21.1 m -109.65 113.13 25.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.72 34.85 0.16 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.905 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 46' ' ' THR . 45.3 t -99.39 125.11 53.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -100.16 -13.01 19.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -178.56 152.51 0.65 Allowed 'General case' 0 C--O 1.224 -0.265 0 O-C-N 123.127 0.267 . . . . 0.0 110.505 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.97 133.69 48.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -91.01 -60.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 m -134.1 133.99 41.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.878 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -114.26 105.2 12.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.926 0.393 . . . . 0.0 110.432 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 16.9 t70 -126.47 135.52 27.35 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.14 -18.75 18.55 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.079 2.519 . . . . 0.0 113.874 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.0 mttp -111.37 -5.3 14.65 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.7 tt0 -168.05 109.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 110.979 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.64 132.42 53.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.6 mt -102.74 106.39 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.027 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.11 124.48 47.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -88.41 100.65 13.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.547 HG21 HD21 ' A' ' 28' ' ' LEU . 34.4 p -99.89 -172.75 2.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.0 mt -53.01 96.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.602 0.564 . . . . 0.0 111.674 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 53.41 41.05 32.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.636 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.21 147.69 10.96 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.614 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -109.94 121.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.212 0.506 . . . . 0.0 111.013 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 81' ' ' TYR . 49.6 tp -96.83 122.03 39.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.456 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -98.91 107.83 20.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.606 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 37.3 mt -101.57 113.18 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.369 -178.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 8.3 mtpm? -101.28 148.55 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.678 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.91 -165.87 39.17 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 25.3 mt-10 -121.82 134.21 54.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.146 0.473 . . . . 0.0 109.751 172.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp 54.93 66.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.939 0.775 . . . . 0.0 111.174 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -80.19 72.51 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.075 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.5 114.48 6.84 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.665 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG22 HG12 ' A' ' 72' ' ' VAL . 40.4 pt -84.42 -18.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.0 111.592 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 67.27 -57.47 0.43 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -128.38 141.96 51.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -91.86 -83.93 0.28 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.26 -151.87 0.31 Allowed 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.858 0.723 . . . . 0.0 111.32 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -168.65 -76.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 54.22 -95.62 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.805 0.691 . . . . 0.0 112.194 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.75 -14.03 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.12 0.486 . . . . 0.0 110.939 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.2 26.93 10.55 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.381 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 29' ' ' THR . 6.5 pt20 -104.93 128.86 53.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.228 0.537 . . . . 0.0 110.521 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.3 p -127.51 143.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.537 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HB2' ' HE1' ' A' ' 25' ' ' PHE . 17.7 pt-20 -122.21 140.81 52.15 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG12 HG22 ' A' ' 60' ' ' ILE . 19.3 m -134.2 136.11 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.483 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.75 133.22 44.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.986 0.422 . . . . 0.0 109.982 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 166.59 -164.28 37.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.849 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 3.0 mm? -88.8 71.05 8.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.678 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 12.7 pt -67.38 143.19 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.647 0.737 . . . . 0.0 112.454 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.731 ' HB3' HD22 ' B' ' 154' ' ' LEU . 67.8 m-20 -92.85 -59.48 2.04 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.658 177.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' B' ' 154' ' ' LEU . . . -161.68 155.44 21.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.807 -171.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 4.1 mm? -115.46 118.3 32.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.59 176.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.42 121.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -174.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 51' ' ' LEU . 31.7 m-85 -102.91 161.5 22.97 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 164.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 87' ' ' HIS . 26.2 Cg_exo -61.43 92.57 0.11 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 121.751 1.634 . . . . 0.0 111.578 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.27 103.62 0.41 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.155 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.44 37.67 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.462 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 73.09 -6.66 1.66 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.76 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -78.94 73.49 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.736 0.303 . . . . 0.0 110.846 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 82' ' ' PRO . 11.8 t-80 -176.21 -28.51 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.725 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -126.67 120.09 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.703 -0.399 . . . . 0.0 112.003 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.9 t60 59.51 73.36 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.196 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.513 172.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.648 -0.13 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.444 ' OD1' ' HG3' ' B' ' 94' ' ' ARG . 3.0 t70 69.08 -176.21 0.2 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.041 0.838 . . . . 0.0 110.64 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -172.75 25.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.439 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.459 ' HG2' HD11 ' B' ' 146' ' ' LEU . 21.5 mtp180 -84.53 136.14 33.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 110.436 176.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -119.81 146.41 45.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.28 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -107.5 125.87 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.435 HD11 HD11 ' A' ' 26' ' ' LEU . 36.2 tp -117.01 114.68 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.093 0.473 . . . . 0.0 110.612 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 12.9 m -114.45 111.03 20.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.586 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 26' ' ' LEU . 49.8 tp -112.7 127.18 56.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.218 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 87.6 m -117.66 126.06 51.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.516 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.46 17.81 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.899 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.53 131.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -89.02 -36.47 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -163.56 165.77 23.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 m -104.16 132.3 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 172.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -85.7 -50.77 6.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 53.5 m -152.53 135.52 15.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.185 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -132.85 103.58 6.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.454 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.66 159.61 70.76 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 168.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' B' ' 129' ' ' LEU . 14.5 Cg_exo -70.44 12.47 0.39 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.906 2.404 . . . . 0.0 114.525 -174.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -122.26 -23.19 5.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.731 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.408 ' OE1' ' HG2' ' B' ' 125' ' ' LYS . 12.6 tp10 -155.95 122.64 5.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.862 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.9 mt -119.72 123.25 70.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.496 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 95.8 mt -108.94 102.65 11.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.11 177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -98.38 129.11 45.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.408 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.81 103.13 14.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 28.7 p -90.14 -172.05 3.34 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.904 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.27 103.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 65.2 24.14 12.3 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.019 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.43 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.052 -1.071 . . . . 0.0 112.822 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.21 123.29 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.526 HD11 HD12 ' B' ' 150' ' ' LEU . 50.3 tp -99.85 122.81 43.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 110.514 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.838 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 36.0 t -98.89 117.71 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.128 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.81 110.83 30.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.892 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.408 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 25.8 mtmt -104.08 130.41 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.938 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.56 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 173.39 -159.28 29.23 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.338 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.667 ' HG2' ' HG3' ' B' ' 128' ' ' LYS . 20.4 tt0 -130.04 144.41 51.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.667 ' HG3' ' HG2' ' B' ' 127' ' ' GLU . 62.0 mttp 67.18 30.41 7.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.905 0.482 . . . . 0.0 110.742 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.0 mp -75.39 73.21 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.579 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -138.24 176.65 20.62 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.518 -0.848 . . . . 0.0 111.963 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.699 HG23 ' H ' ' B' ' 132' ' ' LYS . 4.4 tp -172.04 -71.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.699 ' H ' HG23 ' B' ' 131' ' ' ILE . 3.9 ttmp? -116.0 -37.68 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.098 -0.376 . . . . 0.0 111.784 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' B' ' 132' ' ' LYS . 36.8 m80 73.33 13.1 4.69 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.214 0.531 . . . . 0.0 110.214 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 36.9 tp -155.56 40.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 136' ' ' LEU . 7.6 m-20 -79.07 -165.57 0.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.524 -173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' B' ' 136' ' ' LEU . 13.6 mt 66.28 32.19 7.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 -172.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -52.24 -41.41 62.75 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.658 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -157.02 70.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.84 46.07 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.651 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' B' ' 100' ' ' THR . 27.5 mt-30 -122.39 138.96 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.726 -0.279 . . . . 0.0 110.549 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.44 111.98 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.968 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -109.75 105.14 14.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.95 146.88 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.912 0.387 . . . . 0.0 110.515 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -123.96 147.82 47.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.045 0.45 . . . . 0.0 110.294 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.34 -161.52 34.58 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.655 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' B' ' 128' ' ' LYS . 5.4 mp -118.81 91.45 3.56 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.296 0.569 . . . . 0.0 109.716 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.56 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 26.8 pt -81.84 151.68 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.559 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.423 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 22.1 m-20 -110.41 -42.7 4.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.245 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.1 154.74 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.225 0.536 . . . . 0.0 111.815 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.526 HD12 HD11 ' B' ' 122' ' ' LEU . 4.1 mm? -115.81 130.78 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.105 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.838 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 45.2 t -120.37 112.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.1 t80 -131.61 104.01 14.62 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.63 110.38 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.84 2.36 . . . . 0.0 111.693 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 77' ' ' ASP . 30.7 tp -85.29 -52.87 5.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 156' ' ' HIS . 41.8 tt0 -115.94 132.23 56.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.538 -173.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 156' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' B' ' 155' ' ' GLU . 23.3 p80 -68.56 -179.99 1.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.08 171.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -59.91 126.64 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.354 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -101.65 142.0 33.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.463 -176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -87.66 61.38 6.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.891 0.377 . . . . 0.0 110.888 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 67.34 -172.13 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.595 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 41.6 m80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.818 -0.61 . . . . 0.0 109.857 -175.094 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.467 0.175 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -80.87 89.43 5.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 110.432 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 75' ' ' LEU . 21.7 t-20 -155.3 -115.3 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 33.9 mtp180 48.83 71.42 0.37 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.716 0.77 . . . . 0.0 110.864 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -95.73 157.71 15.77 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.963 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -110.44 111.4 22.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -100.48 106.4 17.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 14.8 m -113.64 110.45 20.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.935 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.16 126.28 51.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.451 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 69' ' ' GLN . 27.1 m -103.86 113.08 26.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.024 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' ' 95' ' ' GLN . . . 137.01 33.68 0.22 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.793 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HD22 ' A' ' 44' ' ' LEU . 48.9 t -104.94 130.38 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 t -102.79 -29.8 11.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.575 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -159.44 159.15 33.27 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.822 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.77 120.45 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -84.79 -57.28 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.62 0.248 . . . . 0.0 110.549 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 47.4 m -126.83 128.97 47.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.15 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -116.28 106.07 13.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.024 0.44 . . . . 0.0 110.735 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -132.68 141.5 41.35 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 -16.06 33.39 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.156 1.904 . . . . 0.0 112.767 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -114.11 -7.36 13.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -161.88 149.9 14.88 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.47 0.652 . . . . 0.0 111.855 169.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG12 HD23 ' A' ' 58' ' ' LEU . 32.0 mm -133.25 131.61 58.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.057 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 52' ' ' SER . 37.6 mt -104.64 101.82 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 96.9 mt -91.74 128.52 37.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.279 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.24 104.39 16.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.794 ' HB ' HE22 ' B' ' 95' ' ' GLN . 35.8 p -95.52 -171.11 2.3 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.828 -175.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.2 96.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.277 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 67.63 20.89 9.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.888 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.3 20.31 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.477 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 16.6 t -136.49 153.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 44.7 tp -130.84 119.68 22.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.673 0.273 . . . . 0.0 110.424 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 2.5 m -99.71 122.72 43.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 mm -114.18 118.91 59.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.185 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 34.3 mtmt -100.87 146.28 27.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 -150.8 21.91 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.383 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HG3' ' HB2' ' A' ' 75' ' ' LEU . 7.9 pt-20 -149.79 148.07 28.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' A' ' 75' ' ' LEU . 5.8 mptt 60.53 44.29 11.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 42' ' ' ILE . 8.6 mp -74.59 72.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.19 104.4 2.88 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.685 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.781 HG22 HG22 ' A' ' 72' ' ' VAL . 42.5 pt -69.76 152.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 110.518 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -95.58 -55.7 2.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.721 0.296 . . . . 0.0 111.089 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.25 101.71 14.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.081 0.467 . . . . 0.0 111.527 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.9 tp -83.54 -28.45 28.6 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -95.7 114.43 26.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.61 95.08 6.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 110.858 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -81.16 -13.53 58.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.244 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.46 -112.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.795 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.41 21.79 2.05 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.4 pt20 -99.87 129.62 45.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.417 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -127.51 118.37 49.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.443 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -106.36 118.63 37.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.859 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.781 HG22 HG22 ' A' ' 60' ' ' ILE . 23.6 t -117.67 126.49 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.846 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -116.85 157.97 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.144 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 141.74 -163.25 26.94 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD13 ' HD3' ' A' ' 57' ' ' LYS . 5.4 mp -95.62 83.92 3.85 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.2 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 pt -77.95 138.5 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.456 0.646 . . . . 0.0 110.633 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -94.4 -64.81 1.03 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.904 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -143.44 153.76 42.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.006 0.431 . . . . 0.0 111.0 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 53.6 mt -118.55 118.36 31.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.37 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.6 t -112.49 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.176 0.513 . . . . 0.0 110.948 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' B' ' 150' ' ' LEU . 1.3 t80 -109.17 119.17 49.35 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 84.6 Cg_exo -46.58 104.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.066 2.511 . . . . 0.0 112.897 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.7 pt? -80.74 21.15 0.69 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.786 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -84.33 21.65 1.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.937 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.69 -38.48 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -127.17 139.81 52.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -73.39 135.05 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.941 0.4 . . . . 0.0 110.96 -175.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.45 147.44 52.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.515 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 55.6 t60 -64.51 -54.45 32.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 174.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 6.8 t60 . . . . . 0 C--O 1.245 0.832 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.724 171.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.38 65.38 1.44 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.581 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -123.49 -27.25 4.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.852 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.478 ' HA ' HD23 ' B' ' 146' ' ' LEU . 44.8 mtt180 -66.65 127.35 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.794 HE22 ' HB ' ' A' ' 46' ' ' THR . 65.8 mt-30 -105.59 139.38 40.28 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.735 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' B' ' 144' ' ' GLU . 9.3 m-85 -106.82 118.05 35.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.277 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.0 tp -112.48 123.68 50.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.788 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 7.4 t -113.63 116.47 29.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' B' ' 122' ' ' LEU . 19.3 tp -120.28 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -108.19 167.04 10.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.35 18.68 79.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.228 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 30.4 t -79.95 107.81 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.972 0.415 . . . . 0.0 109.888 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.0 t -98.01 -26.34 14.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.561 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 86.7 tttt -149.48 138.27 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.066 0.46 . . . . 0.0 111.343 -176.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.478 HG13 HD11 ' B' ' 136' ' ' LEU . 8.2 m -99.17 108.44 22.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.213 0.53 . . . . 0.0 109.986 173.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -80.7 -29.96 36.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.197 0.522 . . . . 0.0 110.36 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t -166.31 135.88 3.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.889 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -127.91 104.53 7.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' B' ' 112' ' ' GLU . 2.1 m-20 -132.26 149.25 72.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.91 0.98 3.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.955 2.436 . . . . 0.0 112.909 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -125.42 -27.0 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.785 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 34.5 tt0 -156.66 114.67 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.93 0.395 . . . . 0.0 110.393 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 60.7 mt -107.93 137.09 41.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 123' ' ' SER . 81.4 mt -120.33 100.4 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.943 0.401 . . . . 0.0 110.122 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.539 HD13 HG11 ' B' ' 141' ' ' VAL . 82.9 mt -105.08 121.62 44.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.407 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 29.5 tt0 -88.22 116.27 26.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.169 0.509 . . . . 0.0 109.674 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 47.0 p -105.09 -178.5 3.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.491 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 69.8 mt -31.83 -61.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.447 1.092 . . . . 0.0 113.416 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -141.88 40.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.155 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.62 167.11 40.1 Favored Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.7 136.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.279 0.539 . . . . 0.0 111.004 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' B' ' 99' ' ' LEU . 4.2 mm? -95.27 111.61 23.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.146 177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.665 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 25.9 t -96.42 100.29 11.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 54.9 mt -95.59 111.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.954 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -100.91 143.04 31.54 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' B' ' 148' ' ' ASP . . . 164.13 -158.99 31.76 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.495 -1.335 . . . . 0.0 113.759 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -134.03 137.49 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.488 . . . . 0.0 110.746 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.454 ' HB2' ' NZ ' ' B' ' 128' ' ' LYS . 3.7 ttmp? 65.34 39.5 5.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.523 0.678 . . . . 0.0 110.954 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.513 HD21 HG22 ' B' ' 124' ' ' ILE . 8.7 mp -75.95 73.84 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.75 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' GLY . . . . . 0.458 ' O ' ' HB ' ' B' ' 131' ' ' ILE . . . -98.55 169.22 23.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' B' ' 130' ' ' GLY . 53.8 mt 78.28 111.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.893 0.854 . . . . 0.0 111.468 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -101.09 154.75 18.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.083 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -82.84 44.52 0.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.23 -84.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.286 0.634 . . . . 0.0 110.923 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -149.69 163.27 38.39 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.478 HD11 HG13 ' B' ' 105' ' ' VAL . 82.0 mt -78.3 75.33 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 110.75 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -3.38 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.889 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -155.06 -88.79 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.962 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -171.18 16.23 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.998 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -105.01 119.69 39.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.067 0.433 . . . . 0.0 110.544 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.539 HG11 HD13 ' B' ' 115' ' ' LEU . 9.9 p -111.18 148.67 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -147.65 106.31 3.81 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.26 148.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.286 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' B' ' 96' ' ' PHE . 16.3 mt-10 -121.13 125.58 47.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -176.45 -173.31 41.96 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.558 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 94' ' ' ARG . 38.4 mt -97.1 87.68 4.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.441 HD11 ' OE1' ' B' ' 95' ' ' GLN . 19.1 pt -73.51 124.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.672 0.748 . . . . 0.0 111.354 -177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.444 ' HB2' ' HA2' ' B' ' 126' ' ' GLY . 18.8 t70 -83.4 -41.45 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.887 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -160.29 164.34 32.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.117 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . 94.1 mt -138.05 115.45 11.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 55.5 t -112.52 112.52 40.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.49 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.8 t80 -125.42 98.26 35.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 152' ' ' TYR . 3.7 Cg_endo -86.2 101.79 0.64 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.206 2.604 . . . . 0.0 113.473 -173.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' B' ' 158' ' ' HIS . 29.0 tp -138.09 152.45 48.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 170.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -169.87 167.96 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -176.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -75.56 1.34 14.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 111.453 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -153.07 139.83 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' HIS . . . . . 0.416 ' NE2' HD12 ' B' ' 154' ' ' LEU . 54.4 m80 -115.8 168.42 10.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.229 0.538 . . . . 0.0 112.179 -174.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -151.55 178.13 9.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.946 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -80.39 -172.51 3.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.891 0.377 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 47.6 m80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.843 -179.356 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 16.6 m-20 -94.55 -155.01 0.44 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 87.9 m-20 75.74 -12.34 1.0 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.764 0.826 . . . . 0.0 110.997 -176.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -80.25 113.92 18.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.53 HE22 ' HB ' ' B' ' 117' ' ' THR . 98.9 mt-30 -119.49 152.99 36.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 47.4 m-85 -98.43 113.77 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.349 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD12 ' B' ' 99' ' ' LEU . 57.4 tp -111.04 129.53 55.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 29.1 m -130.52 124.36 31.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.05 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -127.24 137.36 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.055 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -107.05 166.4 10.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.805 0.336 . . . . 0.0 110.684 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.38 0.71 79.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.499 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG21 HG12 ' A' ' 70' ' ' VAL . 49.1 t -68.38 116.56 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.828 0.347 . . . . 0.0 110.4 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 m -92.47 -30.04 15.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -163.5 143.38 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.44 114.01 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.187 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -72.22 -43.62 64.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -148.47 133.95 18.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -124.59 104.84 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.55 143.05 47.14 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.316 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -14.56 4.86 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 123.2 2.6 . . . . 0.0 114.534 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 80.2 mttt -125.06 -0.76 7.8 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -160.79 131.9 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.226 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.5 mt -136.18 127.33 43.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 -176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.47 100.75 10.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.25 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 70' ' ' VAL . 78.7 mt -94.9 128.52 41.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.376 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.15 110.1 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -125.21 149.17 48.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.242 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mt 44.3 -91.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.517 0.727 . . . . 0.0 112.626 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -141.46 20.42 2.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.838 0.351 . . . . 0.0 110.499 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 169.53 23.68 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.952 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.605 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 19.6 t -115.53 148.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD13 ' HD2' ' A' ' 81' ' ' TYR . 62.3 tp -125.1 118.57 26.43 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -98.63 119.36 37.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.951 0.405 . . . . 0.0 110.223 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 16.1 mm -102.12 110.13 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.953 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -108.38 138.01 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 111.241 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.68 -141.8 7.38 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 8.8 pt-20 -150.86 149.12 29.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 175.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 61.4 mttm 64.0 38.83 8.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.081 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 53' ' ' ILE . 7.4 mp -74.26 71.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.916 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.616 ' O ' HG12 ' A' ' 60' ' ' ILE . . . -112.09 113.89 3.41 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.978 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 HG12 ' O ' ' A' ' 59' ' ' GLY . 10.5 mm -162.54 103.97 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 162.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -83.98 100.85 11.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.33 0.586 . . . . 0.0 109.711 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -74.5 -1.03 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.35 -175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.0 mt 69.77 -84.57 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.925 0.765 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -120.14 163.0 18.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.7 tp -81.8 102.05 10.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.47 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -61.3 -65.15 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.378 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.24 -57.98 0.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.78 72.12 0.13 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.07 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -153.88 157.7 39.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.695 -0.297 . . . . 0.0 110.486 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 44' ' ' LEU . 13.3 p -143.98 140.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.079 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -126.45 139.16 53.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.441 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.522 ' HA ' ' HB ' ' A' ' 60' ' ' ILE . 15.4 m -142.95 139.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.184 0.302 . . . . 0.0 110.314 175.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -125.82 125.44 42.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 157.14 -157.23 27.89 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.825 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.51 92.89 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 pt -89.67 111.33 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.424 0.631 . . . . 0.0 109.87 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.8 -38.02 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.058 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.593 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -153.61 138.17 16.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.493 . . . . 0.0 111.447 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.561 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 25.9 mt -118.84 113.63 21.39 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 174.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.89 129.03 76.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 21.1 t80 -108.12 98.02 24.48 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.605 ' HG2' ' HB ' ' A' ' 50' ' ' VAL . 53.1 Cg_endo -73.29 110.95 3.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.1 1.867 . . . . 0.0 111.001 169.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.1 -64.05 1.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 41.7 mt-10 52.33 -156.87 0.15 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.186 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.4 m80 70.67 -53.75 0.66 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.69 0.396 . . . . 0.0 110.803 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -98.83 19.82 14.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 74.3 m-70 67.3 -101.67 0.06 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.312 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -178.4 148.08 0.45 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.6 0.238 . . . . 0.0 111.407 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.2 m170 67.37 24.36 8.95 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.511 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 m80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.304 174.029 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.732 0.301 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -142.98 155.18 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.728 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' B' ' 146' ' ' LEU . 6.0 t-20 -156.83 -40.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 172.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -74.16 109.54 7.74 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 169.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.23 143.41 27.35 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.03 0.443 . . . . 0.0 110.51 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.58 112.7 25.87 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.906 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.648 ' HB3' HG22 ' B' ' 143' ' ' VAL . 54.6 tp -102.02 106.67 17.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.983 0.42 . . . . 0.0 110.003 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 46.4 t -107.79 118.1 35.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.827 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.502 HD12 HD13 ' A' ' 26' ' ' LEU . 8.6 tt -129.51 130.66 46.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.197 0.522 . . . . 0.0 110.029 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 24.8 m -108.12 105.62 15.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.745 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.23 34.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.135 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 48.2 t -102.0 131.15 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 14.3 t -91.98 -31.96 15.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.735 0.302 . . . . 0.0 110.726 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -172.01 164.12 6.17 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.75 124.87 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.818 0.342 . . . . 0.0 110.271 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 26.0 mt-30 -75.61 -52.25 10.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.891 0.377 . . . . 0.0 110.541 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.1 m -148.03 117.4 6.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -105.51 114.38 28.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -130.7 152.98 81.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.86 32.91 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.298 2.665 . . . . 0.0 113.61 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' B' ' 129' ' ' LEU . 16.1 ptpt -166.07 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.802 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 1.0 OUTLIER -137.47 119.72 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.9 mt -122.53 118.78 56.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -174.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.84 101.98 13.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 97.1 mt -92.65 133.59 35.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.37 178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.577 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 2.9 tm-20 -99.94 101.55 12.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 35.7 p -92.48 -166.14 1.48 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.64 90.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.569 0.223 . . . . 0.0 110.873 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 61.38 24.15 14.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.406 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.86 -178.86 17.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.524 HG23 HD12 ' B' ' 154' ' ' LEU . 42.2 t -138.27 144.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 52.1 tp -122.74 115.45 22.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.503 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 41.1 t -99.0 117.25 33.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.7 mt -109.64 110.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.666 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.802 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 51.3 mtmt -110.6 130.98 55.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.28 . . . . 0.0 111.136 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . -175.9 -149.32 7.39 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -130.44 134.76 47.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt 58.05 71.42 0.58 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.536 0.684 . . . . 0.0 110.746 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -101.33 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.381 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.33 168.74 53.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.605 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.424 HG22 ' HA ' ' B' ' 143' ' ' VAL . 2.5 pp -138.72 157.05 29.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 122.446 -0.444 . . . . 0.0 111.369 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -74.6 131.88 41.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -68.74 103.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.185 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 84.6 mt -133.13 147.29 52.11 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.916 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.58 152.37 19.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.33 101.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 110.697 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -87.72 -80.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.62 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.82 -36.97 3.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.437 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.78 25.96 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.271 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.54 130.95 52.44 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.51 151.64 24.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 35.4 tt0 -139.29 122.43 16.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' B' ' 97' ' ' LEU . 26.8 m -102.69 147.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.364 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -128.95 125.01 36.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.129 -175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.92 -163.57 33.28 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 118.875 -1.631 . . . . 0.0 114.058 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' B' ' 93' ' ' ASN . 41.7 mt -94.44 73.98 3.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.365 -0.417 . . . . 0.0 110.715 -175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 37.3 pt -71.62 151.85 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.888 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -117.12 -48.96 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -144.67 147.47 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.16 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.565 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -116.11 137.99 51.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 52.0 t -135.55 115.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.318 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.593 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 1.3 t80 -108.56 97.64 24.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.446 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 3.4 Cg_exo -81.94 178.22 6.64 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.847 2.364 . . . . 0.0 112.511 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.524 HD12 HG23 ' B' ' 121' ' ' VAL . 76.9 mt 71.96 -139.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.714 177.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.54 ' HG2' ' H ' ' B' ' 156' ' ' HIS . 19.1 tt0 179.95 -177.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -165.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 156' ' ' HIS . . . . . 0.54 ' H ' ' HG2' ' B' ' 155' ' ' GLU . 10.7 m170 -68.49 68.94 0.15 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 164.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -76.52 114.15 14.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.856 -167.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -67.63 129.34 39.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.418 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -103.22 125.77 50.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -175.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.57 115.29 6.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.805 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.251 1.157 0 O-C-N 124.072 0.857 . . . . 0.0 110.371 -178.65 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.761 0.315 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.37 -5.61 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.1 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 70.21 10.16 7.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.713 0.768 . . . . 0.0 109.531 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -89.75 143.33 26.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.877 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' OE1' HD11 ' A' ' 76' ' ' ILE . 71.8 mt-30 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.72 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 75.5 m-85 -109.9 115.87 30.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.7 tp -112.06 106.9 15.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 16.1 m -105.17 113.73 27.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.713 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.5 tp -113.65 146.58 39.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.038 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.574 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 68.1 m -132.09 112.66 12.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.645 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.55 -11.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.71 129.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.942 0.401 . . . . 0.0 110.73 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 m -94.31 -35.96 12.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.825 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -163.99 151.27 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.609 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 44' ' ' LEU . 19.7 m -96.98 127.97 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.889 0.376 . . . . 0.0 110.432 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -87.65 -21.41 25.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 111.177 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -164.06 122.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -109.01 103.01 11.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 0.0 110.337 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 40' ' ' LYS . 7.2 m-20 -134.29 138.57 30.61 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.675 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 20.6 Cg_exo -67.52 12.26 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 174.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 40.9 ttmt -120.9 -25.04 5.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.111 0.481 . . . . 0.0 110.084 175.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 35.8 tt0 -164.54 114.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 -176.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.512 HG13 HD23 ' A' ' 58' ' ' LEU . 68.1 mt -111.25 123.76 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.11 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -98.23 105.94 18.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 34' ' ' VAL . 87.4 mt -97.58 109.2 22.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.11 102.44 11.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -125.15 149.1 48.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.537 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm 53.43 -88.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.622 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -143.9 12.89 1.66 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.151 0.501 . . . . 0.0 110.198 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.06 -171.05 12.4 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.084 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 42.8 t -127.81 126.82 67.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.731 0.301 . . . . 0.0 110.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.92 120.18 39.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.503 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.46 111.25 23.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.824 0.345 . . . . 0.0 110.655 -177.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -94.81 115.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -114.57 136.22 53.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.569 -174.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 166.11 -148.1 13.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.738 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -135.14 150.9 50.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 mttp 59.42 30.14 19.79 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.917 0.865 . . . . 0.0 109.826 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 42' ' ' ILE . 14.0 tp -75.8 73.74 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.528 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.95 161.17 19.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.856 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.34 143.15 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 57.3 tttm -54.76 -76.82 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 O-C-N 123.4 0.438 . . . . 0.0 110.058 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 7.7 t60 177.55 67.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -152.82 136.87 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -88.77 160.29 17.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 tt -86.43 107.0 17.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -139.71 -32.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.18 -15.05 15.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.988 0.423 . . . . 0.0 110.365 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.82 -4.9 29.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.654 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 29' ' ' THR . 67.8 mt-30 -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -148.35 131.98 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -116.69 115.54 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.35 135.14 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.117 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.29 138.56 50.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 0.0 110.809 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.03 -159.78 30.63 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.071 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -91.68 89.0 6.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.573 HD11 ' OE1' ' A' ' 24' ' ' GLN . 27.0 pt -78.61 117.92 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.421 0.629 . . . . 0.0 109.985 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -84.66 -39.3 18.77 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.065 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.06 156.85 20.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.85 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.9 mt -115.92 120.46 39.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.7 t -116.56 129.28 73.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.834 0.349 . . . . 0.0 111.241 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -118.22 103.91 48.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 32.6 Cg_endo -65.79 80.87 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.913 2.409 . . . . 0.0 113.748 -176.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' B' ' 149' ' ' ALA . 81.0 mt -125.63 45.54 2.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.515 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.24 121.12 12.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.184 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.733 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 175.44 -165.72 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.187 0.929 . . . . 0.0 109.786 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -65.55 -15.52 62.78 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -117.47 116.33 26.94 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.249 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -100.08 -8.93 23.17 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.651 177.69 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 68.72 149.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.291 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.448 ' HB3' HD23 ' B' ' 146' ' ' LEU . 11.9 t-20 -110.62 1.74 18.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' B' ' 146' ' ' LEU . 6.7 ptp85 -93.95 157.04 16.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.79 148.53 51.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.981 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 87.2 m-85 -97.22 112.94 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.9 tp -106.96 117.99 35.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 12.9 m -112.72 111.09 21.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.598 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 39.4 tp -112.37 126.31 55.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 20.0 m -120.37 126.48 50.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.4 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.46 13.91 5.07 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.622 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 68.4 t -80.72 136.84 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.831 0.348 . . . . 0.0 110.204 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.0 p -92.57 -34.16 14.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.29 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -166.23 154.08 10.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.303 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.422 HG23 HD23 ' B' ' 115' ' ' LEU . 7.2 p -99.12 134.97 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.83 -59.11 2.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.437 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t -142.03 136.44 30.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.802 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -117.01 104.99 11.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.025 0.44 . . . . 0.0 111.036 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 5.0 m-20 -128.01 137.32 30.55 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.475 173.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 35.4 Cg_exo -63.7 -1.92 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.933 2.422 . . . . 0.0 112.947 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.12 -21.34 12.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 111.054 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.687 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.5 tt0 -166.63 115.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 110.513 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' B' ' 129' ' ' LEU . 61.1 mt -100.99 125.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.055 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -101.21 100.61 11.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.281 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.422 HD23 HG23 ' B' ' 105' ' ' VAL . 96.1 mt -100.67 131.94 46.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.122 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -94.73 126.99 40.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.039 0.447 . . . . 0.0 109.802 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 30.1 p -105.44 -175.19 2.72 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.43 ' H ' HG13 ' B' ' 118' ' ' ILE . 46.4 mt -31.5 -63.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 124.558 1.161 . . . . 0.0 112.26 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -138.77 32.8 2.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.402 . . . . 0.0 110.363 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.12 -176.72 22.64 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.291 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.613 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 42.5 t -133.47 138.86 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' B' ' 152' ' ' TYR . 54.8 tp -114.74 118.63 34.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 17.6 m -96.59 110.43 22.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.91 0.386 . . . . 0.0 110.344 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.687 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -89.27 109.88 20.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -100.87 140.23 35.45 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 166.33 -147.63 12.4 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.06 146.92 27.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.664 0.269 . . . . 0.0 110.421 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 tttm 59.48 38.03 22.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.833 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.424 ' HA ' ' HA3' ' B' ' 145' ' ' GLY . 9.9 mp -75.52 72.19 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.467 174.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -112.67 -169.72 17.8 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.028 -175.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.3 85.99 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.999 0.904 . . . . 0.0 110.259 -175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -149.51 96.29 2.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.487 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -127.18 13.91 7.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.116 0.484 . . . . 0.0 110.999 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' B' ' 137' ' ' LYS . 88.7 mt -92.52 -14.26 28.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.45 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 64.04 -80.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.951 -174.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 38.0 tp -161.89 -54.63 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 134' ' ' LEU . 8.3 mtpm? 61.54 -98.41 0.08 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.088 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.28 14.12 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.014 0.435 . . . . 0.0 110.861 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.56 37.05 14.85 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.3 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.471 ' HB2' HG23 ' B' ' 100' ' ' THR . 52.5 tt0 -140.74 118.62 11.79 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.31 143.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.448 ' HG2' ' OG ' ' B' ' 98' ' ' SER . 43.9 mt-10 -108.49 118.43 36.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.795 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.11 146.76 31.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.11 132.12 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.481 0.658 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 129' ' ' LEU . . . -168.81 166.58 39.76 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.741 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.591 ' HA ' ' HA ' ' B' ' 94' ' ' ARG . 6.5 mp -84.0 83.75 7.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.648 HD12 HD21 ' B' ' 150' ' ' LEU . 17.7 pt -76.7 132.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.606 0.717 . . . . 0.0 111.491 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -89.12 -51.04 5.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.13 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' A' ' 83' ' ' LEU . . . -149.44 153.74 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.934 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.648 HD21 HD12 ' B' ' 147' ' ' ILE . 4.6 mm? -114.96 113.61 24.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.51 112.59 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.021 0.438 . . . . 0.0 110.923 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 25.8 t80 -113.1 98.06 44.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 59.2 Cg_endo -75.7 101.62 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.31 2.006 . . . . 0.0 111.959 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.703 ' HG ' ' H ' ' B' ' 155' ' ' GLU . 21.9 tp -91.37 178.26 6.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.541 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 155' ' ' GLU . . . . . 0.703 ' H ' ' HG ' ' B' ' 154' ' ' LEU . 37.0 tt0 -55.98 129.11 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.567 0.542 . . . . 0.0 110.369 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -76.49 92.33 3.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.657 -169.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -115.93 -80.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -145.68 166.78 24.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -84.36 -41.49 16.69 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 173.88 -34.32 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-N 113.513 -1.676 . . . . 0.0 107.819 166.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.56 0.219 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.694 ' O ' HD13 ' B' ' 118' ' ' ILE . 5.0 t0 -151.46 154.57 36.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' HB2' HD22 ' A' ' 75' ' ' LEU . 29.8 m-80 -103.13 -0.09 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.944 0.402 . . . . 0.0 111.281 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 75' ' ' LEU . 63.6 mtt85 -75.01 99.75 3.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 74.0 mt-30 -108.08 152.38 24.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.743 -177.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.71 112.24 25.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 60.9 tp -107.57 114.58 28.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.895 0.379 . . . . 0.0 110.501 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 8.5 t -119.46 115.88 24.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD13 HD13 ' B' ' 97' ' ' LEU . 30.5 tp -133.19 132.27 41.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.662 -177.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.5 p -94.11 179.1 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.539 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.37 37.19 59.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.347 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -99.53 130.87 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 110.068 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -95.16 -46.42 6.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.242 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.59 150.47 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 111.115 -176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.07 111.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.57 -49.36 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 0.0 111.222 -175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 t -124.39 118.95 27.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' HE1' HG23 ' A' ' 60' ' ' ILE . 87.8 t80 -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.172 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 10.6 m-20 -134.62 150.01 72.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.922 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.93 -3.35 13.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.201 1.934 . . . . 0.0 112.015 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 3.8 mmmp? -117.86 -25.78 6.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.925 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 80.6 tt0 -158.92 114.47 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.818 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.83 128.97 65.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.06 108.43 19.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' VAL . 93.6 mt -97.21 125.2 41.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.81 112.67 17.32 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.5 p -106.16 178.24 4.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.849 -0.159 . . . . 0.0 110.615 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -38.46 -53.31 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 0.0 112.943 -173.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -139.83 36.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.25 -165.41 28.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.777 -1.201 . . . . 0.0 112.932 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.81 126.03 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 44' ' ' LEU . 57.1 tp -96.58 117.79 31.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.787 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.7 m -98.85 109.43 22.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 mt -99.32 114.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -104.14 149.09 25.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.02 24.46 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 12.2 pt-20 -145.64 150.38 36.22 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.671 -0.311 . . . . 0.0 110.726 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 62.6 mttm 53.03 52.89 12.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.93 -172.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.58 73.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.381 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.49 107.22 1.05 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.898 ' HB ' HG12 ' A' ' 72' ' ' VAL . 10.6 tt -138.55 53.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.515 1.15 . . . . 0.0 108.767 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 18.0 ttmt -85.23 17.21 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.407 -176.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -97.62 83.26 3.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.71 110.66 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.13 -174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -170.04 -37.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.254 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.3 tp 61.27 26.11 16.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.704 0.764 . . . . 0.0 109.361 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.33 -49.78 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.772 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.09 7.6 45.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.117 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.28 45.59 95.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.712 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.07 160.8 38.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 44' ' ' LEU . 11.4 p -111.14 134.43 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 0.0 110.381 177.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -131.4 106.71 8.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' A' ' 60' ' ' ILE . 26.9 m -130.34 146.65 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -137.42 131.84 32.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 172.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 166.9 -168.83 40.51 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.97 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 22' ' ' ASN . 73.9 mt -85.86 85.91 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.8 pt -81.03 144.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' B' ' 156' ' ' HIS . 16.8 t70 -104.94 -52.62 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.533 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.6 153.39 28.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 85.6 mt -116.15 135.75 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.1 t -122.24 122.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.765 0.316 . . . . 0.0 110.55 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.2 OUTLIER -127.01 104.35 22.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.034 177.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.22 145.85 67.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.902 2.401 . . . . 0.0 111.903 177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' B' ' 149' ' ' ALA . 82.0 mt -98.31 -87.0 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.689 -175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -100.37 31.4 3.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 111.574 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -79.6 77.65 6.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 90' ' ' HIS . 32.3 p-80 -41.91 113.23 0.41 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.91 0.862 . . . . 0.0 112.301 -172.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -96.81 77.13 2.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.946 -171.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -138.4 -84.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.531 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.7 t60 176.45 102.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.706 0.629 . . . . 0.0 109.655 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.431 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 47.4 t-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.793 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.469 ' N ' ' ND2' ' B' ' 93' ' ' ASN . 1.8 mpt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.907 0.384 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.6 24.03 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 111.372 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' B' ' 91' ' ' MET . 2.0 p30 -84.98 -16.84 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.521 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -83.03 136.25 34.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.087 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.03 137.56 48.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.525 173.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -102.27 126.54 49.3 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 57.9 tp -116.82 113.27 22.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.07 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 48.2 t -109.35 124.55 51.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.655 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 26' ' ' LEU . 28.4 tp -134.11 158.62 43.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.311 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.485 HG22 ' HG2' ' B' ' 140' ' ' GLN . 70.1 p -127.28 155.22 43.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.488 ' HA3' HD11 ' B' ' 118' ' ' ILE . . . 94.57 17.08 40.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.184 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.77 113.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 m -84.86 -24.68 28.44 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.205 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -175.26 148.38 0.96 Allowed 'General case' 0 C--O 1.227 -0.083 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.869 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.99 106.94 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 19.2 mt-30 -76.59 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.348 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.3 t -129.47 125.32 36.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.672 ' HZ ' ' HA ' ' B' ' 132' ' ' LYS . 78.0 t80 -113.95 105.61 13.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.89 0.376 . . . . 0.0 111.053 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -132.45 139.13 33.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -59.01 -10.76 10.71 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.969 2.446 . . . . 0.0 113.975 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -108.98 -21.88 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.183 -0.323 . . . . 0.0 111.808 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 42.2 tt0 -153.96 112.39 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 111.347 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.62 128.89 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.063 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.67 104.61 15.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.445 HD13 HG11 ' B' ' 141' ' ' VAL . 95.3 mt -97.94 115.21 27.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.921 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 26.0 tt0 -75.76 114.87 14.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 16.0 p -119.06 -171.98 2.21 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.357 0.599 . . . . 0.0 111.324 -173.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 21' ' ' ASP . 16.0 mt -61.72 118.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.697 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 118' ' ' ILE . 6.5 pt20 63.07 3.3 1.23 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.918 1.287 . . . . 0.0 113.324 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.07 -165.47 22.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.334 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.76 122.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.17 119.34 34.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.116 0.484 . . . . 0.0 109.969 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.763 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.9 m -98.15 117.58 32.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 12.3 mm -101.7 117.98 47.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.451 ' HG2' ' HG3' ' B' ' 112' ' ' GLU . 27.6 mtpp -123.16 144.12 49.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.647 0.26 . . . . 0.0 111.187 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.412 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 165.02 -139.43 5.82 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.184 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.63 134.68 39.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.675 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 36.2 ttmt 49.46 79.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.852 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.42 72.99 8.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.181 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.72 174.79 18.42 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.851 -1.068 . . . . 0.0 114.309 -171.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.723 HG13 ' HG2' ' B' ' 144' ' ' GLU . 62.8 mt 70.44 74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.894 0.854 . . . . 0.0 109.397 -169.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.672 ' HA ' ' HZ ' ' B' ' 108' ' ' PHE . 55.3 pttt -67.22 146.59 54.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.415 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -160.86 111.25 1.75 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 -4.97 33.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -96.88 176.48 5.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.995 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 41.3 tp -150.71 96.29 2.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.575 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -105.84 121.48 44.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.683 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 71.6 -0.54 3.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.087 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.07 39.58 88.7 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.901 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' B' ' 100' ' ' THR . 74.9 mt-30 -122.73 159.66 27.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.445 HG11 HD13 ' B' ' 115' ' ' LEU . 9.5 p -146.77 133.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 44.3 tt0 -130.12 113.93 15.11 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.6 m -113.79 154.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' GLU . . . . . 0.723 ' HG2' HG13 ' B' ' 131' ' ' ILE . 6.3 pt-20 -131.2 125.64 33.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 145' ' ' GLY . . . . . 0.675 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 163.36 -154.23 25.06 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.425 -1.369 . . . . 0.0 113.463 176.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.86 86.5 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.318 -0.441 . . . . 0.0 110.142 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.96 133.59 29.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.365 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.412 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 37.3 m-20 -104.37 -46.79 4.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 83' ' ' LEU . . . -139.38 139.16 37.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.527 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.488 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 76.9 mt -115.66 113.18 23.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 49.0 t -109.6 118.81 57.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 -173.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -130.78 107.81 15.49 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.297 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.84 144.49 98.53 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.463 2.109 . . . . 0.0 111.667 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 156' ' ' HIS . 86.5 mt -68.71 89.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.25 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -94.9 16.45 16.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.773 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' HIS . . . . . 0.612 ' HB3' ' OD1' ' A' ' 77' ' ' ASP . 8.6 p-80 -80.49 38.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.104 0.478 . . . . 0.0 110.154 173.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -78.52 84.1 4.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.092 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -106.71 -19.65 13.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.784 -175.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -84.75 86.01 7.38 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 122.132 0.968 . . . . 0.0 109.87 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -165.44 102.3 0.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.948 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.638 178.173 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -100.99 99.66 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 111.157 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' HA ' HD13 ' B' ' 118' ' ' ILE . 8.1 p30 -131.04 -14.59 3.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.054 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HA ' HD23 ' A' ' 75' ' ' LEU . 11.5 ptp180 -85.87 133.18 33.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.58 0.705 . . . . 0.0 110.121 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.64 142.7 40.41 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.029 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 43.9 m-85 -97.25 127.44 43.22 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -118.65 116.98 27.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 4.7 m -115.01 110.68 19.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 HD22 ' A' ' 51' ' ' LEU . 29.3 tp -112.82 126.17 55.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.532 HG23 ' HG2' ' A' ' 69' ' ' GLN . 26.9 m -106.77 130.88 54.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 177.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.77 22.66 3.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.968 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 43.7 t -88.88 111.38 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -79.5 -33.7 41.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -155.05 142.87 19.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.564 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.46 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 173.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -72.89 -49.54 29.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.512 . . . . 0.0 110.684 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 m -152.03 142.57 22.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -123.5 105.37 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -123.73 150.71 62.63 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -15.31 36.53 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.989 2.459 . . . . 0.0 112.981 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -103.27 -30.36 10.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 37.7 tt0 -149.11 130.65 14.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -170.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.1 mt -119.67 128.17 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.911 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.15 114.97 29.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.409 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 HD23 ' A' ' 51' ' ' LEU . 86.2 mt -109.52 118.19 35.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.248 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.93 106.99 18.17 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 31' ' ' VAL . 72.6 p -109.11 175.7 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.56 -171.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -32.38 -61.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.448 1.092 . . . . 0.0 113.001 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -140.41 60.69 1.53 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.534 0.683 . . . . 0.0 109.915 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.69 175.58 36.33 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.806 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.743 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 47.4 t -125.42 141.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 44' ' ' LEU . 61.0 tp -108.75 124.53 50.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -107.33 102.77 12.04 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 35.1 mt -89.79 112.71 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG2' ' OE2' ' A' ' 41' ' ' GLU . 54.5 mttm -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.19 0.306 . . . . 0.0 110.442 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.21 -149.64 19.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.675 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.73 138.58 54.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.808 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 16.3 tppt? 62.88 88.31 0.1 Allowed 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 110.471 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.87 71.26 0.88 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.257 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.52 131.72 10.78 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.533 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.768 ' HB ' HG12 ' A' ' 72' ' ' VAL . 2.0 tp -126.09 -68.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 171.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.689 ' H ' HG23 ' A' ' 60' ' ' ILE . 20.0 tptm -159.1 -91.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.208 -0.197 . . . . 0.0 110.698 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 28.2 t-80 169.2 -57.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -174.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -117.07 92.93 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.034 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 1.2 p-10 -142.26 -102.95 0.13 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.223 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tt 69.0 -37.9 0.38 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.609 0.764 . . . . 0.0 111.053 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 64' ' ' ASP . 14.2 tmtt? 68.85 -80.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.588 0.755 . . . . 0.0 110.788 174.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.24 58.14 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.214 0.53 . . . . 0.0 109.932 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 83.22 13.92 75.7 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.046 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HG2' HG23 ' A' ' 29' ' ' THR . 53.8 mt-30 -117.89 110.67 18.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.947 0.403 . . . . 0.0 110.26 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG21 HD22 ' A' ' 44' ' ' LEU . 98.5 t -108.14 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.667 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 60' ' ' ILE . 39.9 tt0 -125.54 105.96 9.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.768 HG12 ' HB ' ' A' ' 60' ' ' ILE . 35.8 m -121.09 163.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.009 -175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.91 142.66 51.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.906 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.808 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 161.26 -162.35 33.69 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.268 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ARG . 23.9 mt -103.74 87.93 2.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.793 0.33 . . . . 0.0 110.118 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.84 132.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.29 0.566 . . . . 0.0 111.042 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.92 -52.82 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.997 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.12 143.22 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.967 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 85.0 mt -119.85 117.96 29.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.516 176.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.98 133.09 66.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.99 96.85 41.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.576 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.743 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 44.7 Cg_endo -71.15 131.49 19.37 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.504 2.136 . . . . 0.0 112.68 178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' B' ' 149' ' ' ALA . 88.9 mt -119.92 165.85 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 66.6 118.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.228 0.955 . . . . 0.0 112.753 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -89.07 88.95 7.76 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -74.82 124.1 26.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.829 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -96.49 142.81 28.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.604 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -91.31 147.21 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -98.85 2.78 47.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.585 0.707 . . . . 0.0 110.303 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.611 175.183 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.55 0.215 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' H ' ' B' ' 93' ' ' ASN . 13.1 m-20 -85.8 -153.54 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' B' ' 92' ' ' ASP . 0.2 OUTLIER 78.52 -28.08 0.16 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.535 0.734 . . . . 0.0 109.857 -178.008 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.53 93.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.693 0.759 . . . . 0.0 109.209 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -90.05 157.09 17.96 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.494 -171.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -105.97 113.4 26.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.475 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -115.1 116.97 29.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.362 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 22.9 t -117.84 126.5 52.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.978 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 125.52 46.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.592 HG23 ' HG2' ' B' ' 140' ' ' GLN . 15.5 m -108.21 100.73 10.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.02 53.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.35 138.86 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 26.4 t -88.18 -55.4 3.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -144.68 148.09 33.82 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.275 -0.265 . . . . 0.0 110.614 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.6 126.59 51.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -95.78 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.031 0.443 . . . . 0.0 110.873 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' B' ' 114' ' ' LEU . 38.8 t -115.15 123.57 49.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -124.62 102.73 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.352 0.596 . . . . 0.0 111.524 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' B' ' 111' ' ' LYS . 17.1 t70 -134.62 145.47 55.1 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.72 11.04 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.241 1.961 . . . . 0.0 113.471 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.796 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 36.5 mtmm -129.21 -14.15 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.053 -0.404 . . . . 0.0 111.495 173.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.1 tt0 -152.31 113.08 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.05 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.725 HD13 HD11 ' B' ' 131' ' ' ILE . 50.9 mt -120.76 117.47 53.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.361 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.479 ' HB2' ' H ' ' B' ' 107' ' ' SER . 90.4 mt -97.79 96.76 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.482 HD13 HG11 ' B' ' 141' ' ' VAL . 83.3 mt -93.54 110.95 22.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.247 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -77.63 111.2 13.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.3 0.572 . . . . 0.0 109.644 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -87.77 178.61 6.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.717 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ASN . 57.7 mt -51.67 -36.69 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.41 -174.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -134.76 19.45 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.12 -155.54 10.3 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 119.571 -1.299 . . . . 0.0 112.994 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.13 139.32 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -114.24 119.6 37.57 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.893 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.9 t -96.81 111.45 23.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 0.0 110.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 4.5 mm -90.39 116.1 31.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -106.79 145.36 32.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.56 -145.59 11.08 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.147 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.796 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 9.4 pt-20 -149.26 149.99 31.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 66.14 23.09 11.02 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.356 0.41 . . . . 0.0 111.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.0 73.66 0.28 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.383 0.673 . . . . 0.0 112.218 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.8 131.25 10.26 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.681 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.833 HG12 HG22 ' B' ' 143' ' ' VAL . 53.9 mt -104.34 128.48 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -123.41 27.9 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.625 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -157.9 142.95 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.581 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -150.7 -177.62 6.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.955 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.688 ' HB3' ' HA3' ' B' ' 139' ' ' GLY . 18.7 t70 -137.97 -81.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.167 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.54 ' CG ' ' H ' ' B' ' 137' ' ' LYS . 0.3 OUTLIER -89.93 -99.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.821 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.54 ' H ' ' CG ' ' B' ' 136' ' ' LEU . 90.7 mttt -89.61 -33.99 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 170.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -136.7 -73.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.324 172.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLY . . . . . 0.688 ' HA3' ' HB3' ' B' ' 135' ' ' ASP . . . 69.54 -99.47 0.66 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.828 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.592 ' HG2' HG23 ' B' ' 100' ' ' THR . 78.6 mt-30 -107.49 110.1 21.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.482 HG11 HD13 ' B' ' 115' ' ' LEU . 13.6 p -106.54 143.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.366 0.603 . . . . 0.0 111.22 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -134.13 106.8 7.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.327 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.833 HG22 HG12 ' B' ' 131' ' ' ILE . 27.5 t -110.25 131.5 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.559 -176.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -127.98 130.1 47.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.335 . . . . 0.0 110.101 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 163.31 -175.71 39.56 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.026 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.55 ' HB2' ' HG3' ' B' ' 127' ' ' GLU . 3.2 mm? -80.59 89.84 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.01 145.57 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.392 0.615 . . . . 0.0 110.773 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.59 -54.78 2.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.305 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 83' ' ' LEU . . . -167.72 169.97 11.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.827 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.48 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 4.4 mm? -116.3 127.09 54.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.479 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 151' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 63.2 t -115.63 113.32 43.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.52 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -118.32 130.23 24.89 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.495 ' O ' ' HB2' ' B' ' 154' ' ' LEU . 30.1 Cg_endo -63.61 -152.99 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.239 2.626 . . . . 0.0 112.581 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 153' ' ' PRO . 9.4 mp 74.36 -71.12 0.14 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.967 0.507 . . . . 0.0 110.22 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -94.46 -47.43 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.942 0.401 . . . . 0.0 110.285 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' B' ' 152' ' ' TYR . 39.7 t-80 -85.83 44.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.436 0.636 . . . . 0.0 110.798 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -172.04 93.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.8 148.16 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.847 0.356 . . . . 0.0 111.299 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -115.84 -16.67 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.719 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -45.67 108.5 0.13 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.614 0.571 . . . . 0.0 112.453 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.293 -0.86 . . . . 0.0 109.61 179.454 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.1 0.476 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -151.44 144.7 24.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' B' ' 118' ' ' ILE . 3.2 t30 -81.09 -4.98 57.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.778 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 27.2 mtp85 -77.22 117.61 18.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -107.4 149.64 27.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-30 -97.54 114.97 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' HG23 ' A' ' 72' ' ' VAL . 38.0 tp -109.84 111.68 23.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.98 0.419 . . . . 0.0 110.616 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.812 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 18.6 m -111.08 118.72 36.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.65 134.53 52.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -106.51 162.63 13.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.357 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.22 55.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.433 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.85 121.9 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -87.19 -44.89 11.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.431 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -160.07 147.88 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 -173.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -92.92 121.91 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -79.19 -45.48 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.572 . . . . 0.0 110.305 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 t -148.2 127.32 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.279 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -113.31 106.59 14.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.137 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -129.63 139.59 36.11 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.85 -24.27 13.24 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.309 2.673 . . . . 0.0 114.174 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 31.7 mtpt -105.69 -6.06 19.48 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -169.12 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.977 0.417 . . . . 0.0 111.288 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.9 mt -112.86 124.66 69.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -99.03 101.95 13.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.901 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.55 120.25 37.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.616 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.32 114.49 20.83 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 t -120.49 -163.52 1.02 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.142 -173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 47' ' ' ILE . 33.8 pt -57.73 108.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.499 0.666 . . . . 0.0 112.167 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.31 0.92 1.85 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.926 -1.033 . . . . 0.0 113.178 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.79 -173.41 30.41 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.307 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.83 140.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -110.8 126.42 54.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.312 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.2 t -96.2 107.75 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.434 HG22 HD21 ' A' ' 58' ' ' LEU . 60.0 mt -104.67 110.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.194 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 5.9 mtmp? -106.83 150.1 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 168.58 -161.15 34.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.732 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -117.96 133.67 55.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.993 0.117 . . . . 0.0 111.017 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.6 64.44 1.82 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.965 0.791 . . . . 0.0 112.436 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 HG22 ' A' ' 53' ' ' ILE . 10.1 mp -88.96 73.38 8.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.959 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.16 -153.23 7.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.953 -177.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.4 mt 75.83 109.49 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.99 90.33 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.09 -1.414 . . . . 0.0 114.322 167.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -174.22 93.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.948 172.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.79 7.29 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 110.338 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.88 -72.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.127 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 33.5 tp 60.06 29.77 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.834 0.826 . . . . 0.0 109.331 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -79.5 -28.49 41.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.907 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.22 24.91 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.935 0.398 . . . . 0.0 110.746 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.02 10.82 73.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.287 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -92.67 124.07 36.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.443 0.297 . . . . 0.0 110.511 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.09 123.64 64.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -109.06 122.73 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.247 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 26' ' ' LEU . 16.3 m -123.91 132.14 71.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.907 0.384 . . . . 0.0 110.067 175.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 38.3 tt0 -115.05 125.63 53.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.2 -170.3 42.39 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.864 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.778 ' HG ' ' HG2' ' A' ' 23' ' ' ARG . 2.8 mp -105.4 90.15 3.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.0 pt -66.8 142.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.757 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.16 -48.97 4.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.321 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.501 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -160.97 146.1 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.82 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 88.7 mt -116.38 119.42 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.41 118.28 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.934 0.397 . . . . 0.0 110.762 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -113.6 109.65 50.58 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.59 106.91 2.19 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.808 2.339 . . . . 0.0 111.957 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' B' ' 149' ' ' ALA . 2.3 pt? -121.4 -11.39 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.32 128.02 24.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.346 0.593 . . . . 0.0 111.406 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -88.17 147.21 24.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.077 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -91.88 84.27 5.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.415 0.626 . . . . 0.0 112.132 -172.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -109.95 -42.18 4.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -135.62 131.71 36.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.008 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -90.59 100.57 13.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.67 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.417 -176.852 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 91' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.62 -7.1 23.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.487 ' CG ' HD23 ' B' ' 146' ' ' LEU . 11.5 t-20 -158.82 172.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 175.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.551 ' HG2' ' HG ' ' B' ' 146' ' ' LEU . 66.1 mtp180 69.67 113.26 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.987 -177.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -116.53 149.34 39.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -102.41 113.22 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.228 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 51.3 tp -99.12 107.46 19.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.812 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 16.3 t -110.36 120.57 42.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 42.7 tp -139.55 139.89 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.422 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.7 p -106.01 167.72 9.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.075 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.76 20.79 42.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.814 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 52.0 t -86.91 129.44 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 13.1 p -106.17 -18.34 14.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.843 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -171.99 148.87 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.297 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.9 t -91.16 109.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' B' ' 116' ' ' GLU . 11.0 mm100 -71.47 -54.83 9.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.471 . . . . 0.0 110.893 -175.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -149.8 146.59 27.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.899 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.518 ' CE1' HG22 ' B' ' 131' ' ' ILE . 31.1 t80 -129.74 106.76 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.258 0.552 . . . . 0.0 111.082 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -132.43 140.58 38.35 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.67 -8.96 4.76 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.909 2.406 . . . . 0.0 114.065 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 63.0 mttp -114.15 -17.23 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.541 0.21 . . . . 0.0 111.56 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.522 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . 35.6 tt0 -153.1 116.58 4.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.252 0.549 . . . . 0.0 111.447 -175.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.5 mt -115.88 129.79 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 85.6 mt -114.84 123.26 48.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.17 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.501 HD13 HG11 ' B' ' 141' ' ' VAL . 85.8 mt -121.62 127.66 51.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' B' ' 106' ' ' GLN . 29.6 tt0 -81.38 131.23 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.7 p -122.34 -178.88 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.374 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 22' ' ' ASN . 41.0 mt -38.07 -53.48 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 124.133 0.973 . . . . 0.0 113.487 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -132.12 19.5 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.26 -152.65 8.94 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.498 -1.334 . . . . 0.0 113.254 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.52 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 38.2 t -137.67 152.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -116.49 136.27 53.13 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.404 ' HA ' HD23 ' B' ' 114' ' ' LEU . 33.6 t -114.6 118.14 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.992 0.425 . . . . 0.0 110.233 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.34 120.71 59.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 112' ' ' GLU . 13.8 mmmm -116.63 136.17 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.997 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 167.1 -149.17 14.34 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.28 152.11 44.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.625 0.25 . . . . 0.0 110.891 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 48.0 tttm 64.14 28.21 14.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.356 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LEU . . . . . 0.404 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.7 mp -72.23 72.97 0.94 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.09 178.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.81 149.06 18.42 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.741 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.579 ' HB ' HG12 ' B' ' 143' ' ' VAL . 8.8 tt -140.58 153.42 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.5 164.48 12.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -78.81 79.83 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.856 0.836 . . . . 0.0 110.447 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER -86.6 -6.57 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.381 -178.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 72.16 156.17 0.16 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.182 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.0 79.55 6.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.787 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' B' ' 137' ' ' LYS . 44.5 mmtt -132.83 141.23 48.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.95 174.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 71.15 -4.65 1.73 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 124.035 0.835 . . . . 0.0 111.12 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.47 35.77 92.35 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.746 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -117.74 137.05 52.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 111.038 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' VAL . . . . . 0.501 HG11 HD13 ' B' ' 115' ' ' LEU . 11.4 p -126.33 148.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.209 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 142' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 41.7 tt0 -146.77 111.14 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 143' ' ' VAL . . . . . 0.579 HG12 ' HB ' ' B' ' 131' ' ' ILE . 34.3 m -117.29 156.19 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -120.65 141.1 50.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.06 172.08 36.18 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.135 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' LEU . . . . . 0.551 ' HG ' ' HG2' ' B' ' 94' ' ' ARG . 4.2 mp -92.95 89.25 6.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 147' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 19.0 pt -82.67 134.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.241 -175.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.93 -20.8 17.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.596 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -158.76 138.62 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.155 0.502 . . . . 0.0 111.586 -177.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 82.8 mt -115.95 114.29 24.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 55.0 t -120.06 117.41 53.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.172 0.51 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.428 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 1.6 t80 -103.57 103.05 33.81 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 171.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 153' ' ' PRO . . . . . 0.52 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 37.8 Cg_exo -25.24 97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 125.208 3.939 . . . . 0.0 114.744 -173.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 59.9 tp -115.35 111.28 20.62 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.053 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.87 80.01 0.89 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.553 0.692 . . . . 0.0 110.208 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -61.89 138.58 58.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.445 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -53.42 109.18 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.558 0.694 . . . . 0.0 111.534 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -140.0 48.58 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.813 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -76.3 57.39 1.15 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.663 0.744 . . . . 0.0 109.641 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -171.98 131.1 0.65 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.422 -1.263 . . . . 0.0 107.722 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 12.9 t60 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.06 -176.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB3' HD23 ' A' ' 75' ' ' LEU . 4.0 t30 . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.746 0.307 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' HD3' ' HD3' ' A' ' 57' ' ' LYS . 68.9 mtm180 -78.4 129.63 35.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.427 . . . . 0.0 110.565 173.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -113.39 145.71 40.69 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 93.0 m-85 -97.83 118.33 34.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 tp -114.3 116.26 28.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.927 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.598 ' OG ' ' HB3' ' B' ' 98' ' ' SER . 4.7 p -119.9 132.46 55.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.686 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -133.35 134.37 43.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.766 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -103.16 154.86 18.87 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.81 24.2 21.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.08 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.52 106.58 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -81.01 -38.83 26.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.795 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 56.0 tttm -146.82 150.2 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.462 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.23 139.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 13.2 mm-40 -94.46 -58.9 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.876 0.37 . . . . 0.0 110.348 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 t -143.82 140.3 29.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.479 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -121.41 105.28 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.819 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 14.3 t70 -133.22 136.87 28.09 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.8 Cg_exo -65.05 13.0 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 123.125 2.55 . . . . 0.0 113.771 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 19.7 ttmm -129.91 -15.24 3.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.653 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -155.63 111.55 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 110.77 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 58' ' ' LEU . 45.0 mm -105.59 127.99 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.266 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.41 114.32 24.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.215 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.14 135.56 54.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.874 0.368 . . . . 0.0 110.981 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 8.7 tm-20 -92.33 105.34 17.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 t -125.67 -170.53 2.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' B' ' 93' ' ' ASN . 68.3 mt -51.22 -56.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -88.12 -4.34 58.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -172.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.17 -151.16 23.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.419 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -98.59 125.71 51.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -94.99 118.22 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.441 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.872 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 15.0 m -98.65 106.09 18.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 53.0 mt -95.31 118.68 42.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.516 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -116.6 139.63 50.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.496 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 170.99 -149.89 13.07 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.21 176.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 11.9 tp10 -124.66 134.75 52.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HD3' ' HD3' ' A' ' 23' ' ' ARG . 47.9 tttm 57.2 61.31 2.59 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.589 0.555 . . . . 0.0 110.892 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 42' ' ' ILE . 7.9 mp -89.14 73.16 8.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.359 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.897 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.864 179.275 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.722 -0.151 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.73 136.97 53.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.791 -0.241 . . . . 0.0 110.385 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.21 121.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.097 0.475 . . . . 0.0 110.934 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 50.7 mt-10 -111.19 123.0 49.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.472 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.54 144.51 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.966 0.412 . . . . 0.0 110.852 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -120.54 144.92 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.714 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.29 -179.89 35.51 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.648 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.552 HD23 ' HB3' ' A' ' 22' ' ' ASN . 3.4 mp -92.2 85.13 5.36 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 ' HE2' ' B' ' 152' ' ' TYR . 6.1 pt -68.9 141.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.123 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.58 -48.51 4.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.152 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -161.71 163.31 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.374 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' HD2' ' B' ' 152' ' ' TYR . 86.3 mt -125.48 133.55 52.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.872 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.2 t -114.82 111.84 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.941 0.401 . . . . 0.0 110.274 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.55 ' HA ' HD13 ' A' ' 47' ' ' ILE . 17.7 p30 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -83.26 135.43 34.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.943 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -113.68 142.84 45.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.171 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -103.25 112.89 25.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 43.2 tp -105.0 120.67 42.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.598 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 22.7 t -121.65 122.68 40.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.733 176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 22.4 tp -134.65 136.28 42.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.158 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HB3' ' B' ' 140' ' ' GLN . 74.5 p -98.9 171.82 7.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.17 11.54 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.9 117.66 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -114.01 -28.57 7.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.533 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.585 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 61.6 tttm -148.45 129.9 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.02 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.95 114.8 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -102.08 -17.74 15.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.827 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.535 ' HB3' ' HB2' ' B' ' 114' ' ' LEU . 39.3 t -164.9 136.19 4.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -140.25 104.0 4.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.21 0.529 . . . . 0.0 110.637 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -133.39 143.01 46.27 Favored Pre-proline 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.67 0.81 0.67 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.345 2.03 . . . . 0.0 113.753 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 39.7 mtpt -123.1 -9.84 8.16 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 0.6 OUTLIER -164.43 121.84 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.409 HG22 ' HG ' ' B' ' 115' ' ' LEU . 63.3 mt -127.44 127.73 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 107' ' ' SER . 91.4 mt -109.36 106.44 16.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.474 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 113' ' ' ILE . 91.2 mt -110.51 123.18 49.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 1.7 tm-20 -85.84 109.65 18.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.7 p -109.64 -178.41 3.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.045 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 12.8 mt -38.29 -57.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -170.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.52 14.64 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.9 170.86 44.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.164 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.91 126.18 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' B' ' 152' ' ' TYR . 56.6 tp -95.63 128.72 42.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.648 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.662 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 23.0 t -105.52 110.48 22.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.245 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.6 mt -102.16 110.4 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 89.2 mttt -112.91 144.53 42.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.654 0.264 . . . . 0.0 110.984 -173.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.46 -138.5 5.31 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.578 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 8.4 pt-20 -155.45 148.84 24.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.941 0.4 . . . . 0.0 111.283 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 59.01 40.08 22.69 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.702 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.427 HD21 HG22 ' B' ' 124' ' ' ILE . 9.8 mp -77.88 73.36 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.972 -176.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' B' ' 100' ' ' THR . 4.0 pt20 -123.47 152.1 42.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 110.937 -176.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -114.26 140.8 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.827 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.36 110.24 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.89 156.57 28.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -129.93 134.57 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.23 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 159.88 -161.22 32.2 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.105 -1.045 . . . . 0.0 112.587 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.93 86.94 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.463 HD12 HD21 ' B' ' 150' ' ' LEU . 17.5 pt -82.97 118.82 31.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 110.29 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.09 -35.88 12.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.287 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -148.27 140.24 23.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.322 0.582 . . . . 0.0 112.157 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.463 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -115.94 114.77 25.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.142 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.662 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 46.0 t -116.64 116.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 0.0 111.954 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.706 ' HE2' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.591 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 121.239 0.542 . . . . 0.0 109.547 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.73 111.55 10.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.519 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 94.1 mt-30 -99.69 141.64 32.22 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.737 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 26.9 m-85 -99.5 111.46 23.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 99' ' ' LEU . 53.6 tp -108.17 116.81 32.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 2.3 p -125.28 131.3 53.1 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' B' ' 96' ' ' PHE . 35.5 tp -136.78 153.52 50.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.697 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLY . 49.4 p -111.61 174.93 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.489 176.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.42 22.16 76.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.795 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 70' ' ' VAL . 57.1 t -81.74 130.94 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.4 m -90.12 -55.56 3.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -165.5 165.25 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.539 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.98 138.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.68 -48.74 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.73 0.3 . . . . 0.0 110.656 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 p -134.6 118.37 17.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.449 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -96.04 102.49 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 0.0 110.345 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.6 m-20 -134.33 136.38 25.78 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.082 173.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 12.5 Cg_exo -70.95 17.02 0.27 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.991 2.461 . . . . 0.0 113.223 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -135.32 -31.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.656 0.265 . . . . 0.0 110.862 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 39.7 tt0 -146.73 108.68 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.2 mt -107.63 128.69 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.548 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.23 101.78 11.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.926 0.393 . . . . 0.0 110.167 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.12 123.18 36.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.436 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -91.83 125.05 36.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 0.0 109.786 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -123.81 -163.35 1.13 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.868 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.8 93.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 122.762 0.425 . . . . 0.0 111.6 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 65.0 17.34 11.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.558 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA3' ' OH ' ' A' ' 81' ' ' TYR . . . -149.43 172.62 29.42 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.5 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -132.73 129.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.681 0.276 . . . . 0.0 110.363 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.3 tp -105.22 122.44 45.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.748 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.9 m -97.87 114.79 26.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.707 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.0 mm -101.46 115.86 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.433 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 46.1 tttp -123.32 134.87 54.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.06 -152.72 20.71 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.124 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -117.99 134.98 54.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.722 0.296 . . . . 0.0 111.018 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.44 63.77 1.77 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -84.71 73.33 10.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.777 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.473 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.382 175.098 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' THR . . . . . . . . 0 C--O 1.227 -0.283 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -86.95 127.89 35.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.477 HG12 HG21 ' A' ' 31' ' ' VAL . 12.0 p -130.53 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 37.4 mt-10 -125.87 122.03 34.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.591 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.1 t -107.4 126.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.37 124.49 51.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.18 -173.59 44.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 118.82 -1.657 . . . . 0.0 113.669 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 22' ' ' ASN . 16.3 mt -91.29 67.79 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.595 HD12 HD21 ' A' ' 79' ' ' LEU . 22.1 pt -70.43 142.07 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.305 0.574 . . . . 0.0 110.977 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -118.4 -39.93 2.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -134.48 135.1 42.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.065 0.459 . . . . 0.0 111.463 -177.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 76' ' ' ILE . 4.4 mm? -116.17 124.78 51.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.538 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.748 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 46.4 t -126.58 133.96 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.803 0.335 . . . . 0.0 111.382 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 5.4 t80 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -80.0 117.74 21.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -99.69 159.74 14.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.953 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 84.7 m-85 -98.02 112.53 24.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.337 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.3 tp -108.56 106.69 16.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.91 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.59 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 0.4 OUTLIER -120.0 122.98 42.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.691 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.56 HD13 HD13 ' A' ' 26' ' ' LEU . 14.1 tp -134.54 138.32 44.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.613 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 71.4 p -100.95 174.92 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 24' ' ' GLN . . . 84.57 16.08 66.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.819 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.451 HG11 HD22 ' B' ' 115' ' ' LEU . 67.6 t -92.02 121.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 20.0 m -93.74 -39.14 10.92 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.732 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -159.46 145.33 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.64 0.257 . . . . 0.0 110.641 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.29 107.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.36 -55.25 9.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.183 0.516 . . . . 0.0 110.498 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 37.2 t -132.7 123.88 27.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.826 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -113.8 106.47 14.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.033 0.444 . . . . 0.0 111.302 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -133.04 139.79 35.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -53.79 -14.62 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.973 2.448 . . . . 0.0 114.26 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -109.29 -5.56 15.84 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.099 -0.376 . . . . 0.0 111.839 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.537 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 32.6 tt0 -171.12 123.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.952 0.406 . . . . 0.0 111.266 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.28 127.34 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.036 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.17 107.06 19.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.419 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.451 HD22 HG11 ' B' ' 102' ' ' VAL . 85.6 mt -100.18 111.18 23.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.731 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.13 122.5 25.7 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.6 p -113.89 178.53 4.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.32 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.53 -46.99 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.08 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.82 30.88 2.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.442 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . 0.665 ' HA3' ' HE1' ' B' ' 152' ' ' TYR . . . -174.92 -167.65 34.49 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.745 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.3 t -135.58 120.75 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.0 tp -96.99 118.91 34.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.01 0.433 . . . . 0.0 110.173 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.655 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 43.5 t -94.73 111.19 22.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.343 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 9.2 mm -91.81 110.18 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.467 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 65.1 mttm -108.67 142.2 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 166.33 -139.38 5.73 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.015 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 58.66 49.4 10.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.916 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.14 71.88 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.128 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.579 -172.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 110.004 -1.239 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -125.86 133.32 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.817 -0.691 . . . . 0.0 109.878 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -107.51 141.86 21.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.184 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -124.97 106.69 10.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.65 120.26 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.91 124.16 51.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.03 -160.5 32.56 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.284 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.38 114.97 27.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.33 136.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -102.13 -51.7 3.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -154.42 153.36 31.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.236 0.541 . . . . 0.0 111.713 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.423 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 mm? -116.53 116.76 28.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.68 175.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 89.6 t -116.1 124.16 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.945 0.402 . . . . 0.0 110.82 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.665 ' HE1' ' HA3' ' B' ' 120' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.319 -0.732 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HA ' HD12 ' B' ' 118' ' ' ILE . 6.2 p-10 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 31.5 mtp-105 -93.24 104.1 16.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.5 173.32 8.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.329 0.585 . . . . 0.0 111.751 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.982 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 85.6 t80 -120.22 129.02 53.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.366 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 60.2 tp -129.08 133.37 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.22 -173.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 21.2 t -131.98 137.4 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.518 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -139.79 149.02 43.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.532 HG22 ' HB2' ' A' ' 69' ' ' GLN . 77.3 p -113.34 159.94 18.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.48 5.85 68.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.278 -0.486 . . . . 0.0 112.3 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.469 HG21 HG12 ' A' ' 70' ' ' VAL . 38.9 t -65.08 128.85 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.0 110.506 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -101.92 -48.67 4.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.695 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -150.64 147.18 27.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 111.266 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.6 t -89.58 108.53 19.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -67.4 -59.56 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.189 0.519 . . . . 0.0 110.64 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -130.11 130.12 44.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.235 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -117.51 104.38 11.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.069 0.462 . . . . 0.0 111.269 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.33 141.78 41.79 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -57.41 -13.4 13.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.847 2.365 . . . . 0.0 113.927 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -108.99 -12.19 14.89 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 40.2 tt0 -162.56 122.07 2.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.197 0.522 . . . . 0.0 111.069 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.98 129.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.304 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 52' ' ' SER . 77.7 mt -99.1 105.83 17.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.967 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.41 107.94 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.655 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 1.5 tm-20 -84.48 110.59 18.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -115.73 145.66 42.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.708 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt 45.51 -81.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 123.833 0.708 . . . . 0.0 112.79 -170.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -151.22 23.88 0.73 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.646 0.736 . . . . 0.0 109.545 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.49 141.16 11.45 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.001 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 22.2 t -94.72 122.14 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 111.106 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 80' ' ' VAL . 57.4 tp -96.37 131.37 42.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.862 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HD23 ' A' ' 43' ' ' LEU . 32.7 t -99.51 112.14 24.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.084 0.468 . . . . 0.0 110.958 -177.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.6 mm -101.07 113.72 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.627 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 4.3 ttmp? -114.29 139.26 49.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.467 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 75' ' ' LEU . . . 175.73 -138.87 4.39 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.392 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -156.17 146.56 21.62 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 15.3 ttmt 61.55 38.9 15.28 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.4 75.95 0.55 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.139 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.334 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 177.098 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.318 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 29' ' ' THR . 56.2 tt0 -121.69 140.92 51.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 HG21 ' A' ' 31' ' ' VAL . 11.2 p -135.74 140.37 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.713 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -136.97 130.76 32.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.107 0.479 . . . . 0.0 110.835 177.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.67 168.29 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.988 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.79 51.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.429 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 23' ' ' ARG . . . 159.97 -170.84 36.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.085 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 57.4 mt -83.42 111.2 18.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.12 109.84 25.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.234 0.54 . . . . 0.0 110.442 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.32 -51.76 8.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.929 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -137.08 147.88 46.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.671 -174.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 0.2 OUTLIER -132.54 112.44 12.09 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD12 ' A' ' 51' ' ' LEU . 48.3 t -124.96 112.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 111.669 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.455 ' HB3' ' N ' ' B' ' 150' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -77.34 95.23 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 109.771 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.407 ' OE1' HD11 ' B' ' 147' ' ' ILE . 88.2 mt-30 -95.98 152.0 18.92 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.81 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' B' ' 144' ' ' GLU . 10.5 m-85 -106.92 112.03 24.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -100.75 107.79 19.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.344 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 23.3 t -104.8 113.84 27.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.765 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 41.6 tp -115.47 134.06 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.804 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.982 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 86.9 m -127.05 121.26 31.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.26 31.18 1.74 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -90.9 124.87 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.7 m -75.13 -46.87 31.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.003 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -168.63 164.72 12.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.928 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -100.41 140.12 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.632 0.253 . . . . 0.0 110.375 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 82.4 mt-30 -96.23 -34.46 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.0 110.091 177.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.4 t -161.72 130.68 4.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -119.24 105.1 11.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.93 153.84 76.28 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.653 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.32 7.79 1.07 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.736 2.29 . . . . 0.0 113.629 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 129' ' ' LEU . 63.7 mttt -134.26 -31.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 20.8 mt-10 -135.31 115.6 13.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 111.054 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.12 124.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.82 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.18 101.3 12.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.77 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.11 109.66 21.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.697 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 36.0 tt0 -79.96 106.4 11.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.6 p -93.06 -177.23 4.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.932 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -44.45 -47.31 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 124.059 0.849 . . . . 0.0 112.06 -171.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -145.01 48.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.283 0.563 . . . . 0.0 110.105 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -172.59 -173.18 38.96 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.654 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 59.9 t -138.98 120.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -96.15 111.83 23.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.3 m -91.74 110.24 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 51.2 mt -93.86 116.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' B' ' 112' ' ' GLU . 32.5 tptt -113.23 127.79 56.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.03 -148.27 10.3 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.824 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 146' ' ' LEU . 65.4 mm-40 -127.85 137.35 52.31 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.984 0.514 . . . . 0.0 110.386 -176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.2 mttm 58.74 54.74 5.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.089 172.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -78.11 72.6 4.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.506 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.878 -176.248 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 112.959 -0.056 . . . . 0.0 112.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.57 ' HG2' HG23 ' B' ' 100' ' ' THR . 44.7 mt-30 -112.32 110.47 20.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.616 0.245 . . . . 0.0 110.383 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.8 p -137.05 134.34 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.0 111.356 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -119.5 112.54 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.535 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.6 t -102.57 138.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.438 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' B' ' 96' ' ' PHE . 52.7 mt-10 -118.27 125.03 49.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.655 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.94 -163.53 37.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.107 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 40.9 mt -99.62 93.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.407 HD11 ' OE1' ' B' ' 95' ' ' GLN . 22.1 pt -82.98 115.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.537 0.684 . . . . 0.0 110.675 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.3 -40.34 21.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.25 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.03 163.79 39.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.804 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.455 ' N ' ' HB3' ' A' ' 81' ' ' TYR . 94.7 mt -137.05 124.43 21.97 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.1 t -109.85 109.61 29.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.191 0.519 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 3.3 t80 . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.523 ' HA ' HD13 ' B' ' 118' ' ' ILE . 6.3 t30 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.19 121.33 19.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.218 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -97.88 148.8 23.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.807 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 27.8 m-85 -106.32 111.21 23.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB3' HG22 ' A' ' 72' ' ' VAL . 43.3 tp -96.44 113.38 24.95 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.223 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 32.3 m -113.86 113.4 24.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.838 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD13 HD13 ' B' ' 97' ' ' LEU . 26.7 tp -133.91 137.17 44.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 p -100.59 156.07 17.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.14 47.93 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.916 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 HG12 ' A' ' 70' ' ' VAL . 48.6 t -66.95 115.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 109.804 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 m -94.3 -39.44 10.5 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -169.72 163.73 9.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -100.95 138.7 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -96.48 -37.56 10.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -154.47 122.64 6.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -108.47 104.63 14.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 0.0 111.213 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -123.16 142.7 39.06 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.0 Cg_exo -64.96 -11.66 30.79 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.107 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -104.4 -19.27 14.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.877 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.9 tt0 -168.85 121.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.564 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.2 mt -114.81 130.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.693 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.41 102.14 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.75 123.31 42.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.51 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.78 118.1 27.07 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.389 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -101.05 -164.45 1.11 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.41 89.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 O-C-N 123.466 0.479 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 54.96 43.59 29.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.997 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.52 173.58 34.3 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.0 t -134.16 115.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 117.346 0.573 . . . . 0.0 110.861 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 60.5 tp -99.33 113.54 25.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.84 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -90.18 116.5 28.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -103.16 110.59 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 59.4 tttp -110.02 138.89 45.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 166.54 -145.82 10.32 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.192 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -137.62 139.42 40.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.911 0.355 . . . . 0.0 111.466 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt 61.14 52.79 3.83 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.732 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.27 73.04 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.854 -178.878 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.677 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -144.16 144.23 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG12 HG21 ' A' ' 31' ' ' VAL . 10.4 p -141.91 137.05 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 0.0 110.621 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -123.3 106.47 10.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' A' ' 26' ' ' LEU . 35.3 m -109.19 144.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.944 0.402 . . . . 0.0 111.626 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.68 170.78 42.28 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.353 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.3 mt -83.12 77.31 9.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.448 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.3 pt -77.39 143.51 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.826 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.59 -58.84 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.993 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -122.04 138.41 54.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.695 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.25 114.84 24.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 171.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.84 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 45.8 t -112.96 113.49 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.966 0.412 . . . . 0.0 111.316 -175.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' HB3' ' HB2' ' B' ' 150' ' ' LEU . 4.0 t80 . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.545 ' HB3' HD12 ' B' ' 146' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.431 0.158 . . . . 0.0 110.75 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -60.36 129.7 42.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -128.73 147.59 50.78 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -100.62 123.61 45.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.801 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 28' ' ' LEU . 60.3 tp -118.29 122.55 43.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.857 0.361 . . . . 0.0 110.728 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 11.3 t -122.56 126.94 48.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.937 177.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.495 HD22 HD23 ' B' ' 122' ' ' LEU . 15.5 tp -124.73 142.71 51.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.035 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 174.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.68 29.56 42.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.754 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.06 117.6 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -77.17 -48.63 17.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.719 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -171.54 173.21 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.966 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.03 136.32 31.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.361 . . . . 0.0 110.658 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 75.6 mt-30 -89.71 -50.7 5.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.329 0.585 . . . . 0.0 110.31 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m -140.94 126.53 18.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.923 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -112.32 105.48 13.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 0.0 110.269 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 14.5 t70 -130.32 136.85 29.63 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.208 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 34.4 Cg_exo -59.88 -14.59 28.2 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.858 2.372 . . . . 0.0 113.435 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -105.59 -16.61 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.424 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.626 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 39.2 tt0 -165.8 115.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.056 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.4 mt -108.88 136.22 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt -111.1 107.36 16.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.477 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 92.2 mt -94.68 129.09 41.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.767 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.569 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.5 tm-20 -94.39 106.78 18.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.495 HG21 HD21 ' B' ' 99' ' ' LEU . 64.4 p -107.08 -178.58 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.506 -173.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 22' ' ' ASN . 63.2 mt -22.97 -64.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.13 1.372 . . . . 0.0 113.674 -177.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -142.48 27.27 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.342 0.591 . . . . 0.0 109.662 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.83 -171.54 19.72 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.338 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.49 143.33 40.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.605 HD13 ' CD2' ' B' ' 152' ' ' TYR . 32.7 tp -118.94 121.92 41.06 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.565 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.5 m -101.59 111.84 24.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.585 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 6.5 mm -97.45 110.88 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -112.51 132.62 55.0 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.742 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.85 -143.79 7.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.6 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -134.25 139.14 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.594 0.235 . . . . 0.0 110.868 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 49.19 62.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.605 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.25 72.68 10.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.676 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.672 -179.596 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.89 140.91 52.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 98' ' ' SER . 93.0 t -132.68 143.9 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.346 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -130.55 119.53 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.82 141.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.87 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.38 139.7 51.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.76 -162.99 35.44 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.147 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' B' ' 93' ' ' ASN . 2.2 mm? -92.94 85.17 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 33.0 pt -80.16 140.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.66 -48.65 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -133.03 144.84 50.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 0.0 112.086 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 81' ' ' TYR . 3.0 mm? -123.95 124.19 42.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.932 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.6 t -126.62 127.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.605 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.409 0.623 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -93.86 142.31 27.52 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.776 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -119.17 143.34 47.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -97.73 112.82 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -99.73 109.36 21.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 19.5 m -110.21 110.84 21.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.879 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 51' ' ' LEU . 50.2 tp -126.66 135.4 51.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 p -97.93 -179.04 4.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 32.19 83.39 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.637 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' HA ' HG22 ' A' ' 46' ' ' THR . 43.5 t -97.34 116.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.749 0.309 . . . . 0.0 110.333 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -75.12 -47.38 28.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.832 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -169.55 150.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.15 119.69 32.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 91.2 mt-30 -73.8 -45.3 52.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.603 0.716 . . . . 0.0 110.147 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.9 t -138.39 127.7 24.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.409 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -120.87 104.16 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 40' ' ' LYS . 19.0 t70 -130.58 147.59 66.62 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.33 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 38' ' ' ASP . 9.4 Cg_endo -51.5 -12.79 1.09 Allowed 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.574 2.849 . . . . 0.0 114.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HB3' ' HE2' ' A' ' 40' ' ' LYS . 10.7 ptpt -140.19 13.64 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.35 -0.54 . . . . 0.0 112.388 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -156.47 120.7 4.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.619 0.247 . . . . 0.0 110.436 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 53' ' ' ILE . 71.7 mt -134.7 117.63 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.602 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.9 mt -102.03 106.21 17.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.373 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 51' ' ' LEU . 85.2 mt -93.72 110.39 22.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.064 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 3.1 tm-20 -81.13 106.15 12.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 31' ' ' VAL . 59.0 p -111.75 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.0 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -33.03 -56.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.323 1.015 . . . . 0.0 113.56 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -140.14 37.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 111.509 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.36 162.02 21.93 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.716 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.06 130.06 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 110.548 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 44' ' ' LEU . 51.4 tp -94.94 117.18 29.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.767 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' HD23 ' A' ' 43' ' ' LEU . 14.3 m -92.09 106.18 18.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.31 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 55.8 mt -97.07 120.29 46.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.277 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -123.38 135.94 54.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.697 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 172.59 -149.95 12.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.059 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -135.59 145.49 46.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 122.326 0.25 . . . . 0.0 110.674 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.78 44.23 8.84 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.502 0.501 . . . . 0.0 111.727 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 10.3 mp -76.74 73.11 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.468 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.219 -179.019 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -153.42 141.98 20.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.718 -0.284 . . . . 0.0 110.63 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.09 132.75 70.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.231 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.88 107.22 9.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 p -130.01 147.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.653 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -115.39 144.23 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.258 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.67 38.95 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.301 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -96.05 72.86 2.96 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 13.0 pt -78.53 131.8 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.544 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 15.0 m-20 -97.08 -40.04 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.807 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.32 134.15 35.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 112.14 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 84.0 mt -121.38 113.97 20.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 172.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' HD12 ' A' ' 51' ' ' LEU . 61.9 t -117.29 115.5 48.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.712 0.291 . . . . 0.0 111.483 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -69.52 130.8 43.46 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.233 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -115.49 143.9 44.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -102.0 112.85 25.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.7 tp -113.41 125.87 54.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.921 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 30.5 t -124.04 122.12 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.376 175.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.01 138.87 52.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.494 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HG2' ' B' ' 140' ' ' GLN . 65.5 p -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.349 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 9.27 68.54 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.79 139.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.769 0.318 . . . . 0.0 110.248 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.7 p -114.86 -39.56 3.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' B' ' 116' ' ' GLU . 58.3 mttp -140.12 150.84 44.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.41 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.815 HE21 ' HB2' ' B' ' 116' ' ' GLU . 82.4 mm-40 -63.89 -58.34 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' B' ' 114' ' ' LEU . 11.9 p -156.65 117.94 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -91.28 107.91 19.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 18.7 t70 -130.78 133.15 24.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.389 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' B' ' 129' ' ' LEU . 24.2 Cg_exo -66.37 14.1 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.248 2.632 . . . . 0.0 113.86 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.24 -34.22 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.988 0.423 . . . . 0.0 110.052 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 109' ' ' ASP . 45.4 tt0 -139.25 103.25 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 66.4 mt -93.87 114.09 29.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.214 0.53 . . . . 0.0 109.929 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.414 ' HB2' ' OG ' ' B' ' 107' ' ' SER . 81.6 mt -105.18 116.58 32.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.303 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.539 HD13 ' H ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -132.77 151.08 52.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.366 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.815 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -101.32 127.1 48.09 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 119' ' ' GLN . 5.2 t -123.53 146.62 47.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 47.41 -79.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 117' ' ' THR . 20.0 tt0 -148.75 11.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.495 . . . . 0.0 110.682 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.53 151.61 20.92 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.318 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 42.7 t -93.15 129.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 tt -106.43 146.29 30.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.667 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.693 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 30.2 t -115.66 120.34 39.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 111.404 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.3 mt -104.78 115.42 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.11 135.48 54.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.839 0.352 . . . . 0.0 111.437 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 171.95 -154.71 22.31 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.056 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -120.77 140.18 52.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 51.5 tttm 54.96 63.4 2.14 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.441 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 110' ' ' PRO . 10.5 mp -82.39 72.53 9.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.723 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.119 -174.015 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' B' ' 100' ' ' THR . 26.0 mt-30 -131.71 136.32 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 8.5 p -139.87 129.98 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.298 0.57 . . . . 0.0 111.955 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -111.75 142.9 43.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.934 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 12.7 p -143.56 146.23 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.567 0.222 . . . . 0.0 110.825 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -121.58 131.49 54.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 160.67 -178.97 36.46 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.21 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 146' ' ' LEU . 4.1 mp -87.98 74.1 9.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.05 0.452 . . . . 0.0 110.017 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.8 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 31.8 pt -74.29 132.95 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.422 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.12 -24.52 14.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.09 148.3 25.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.488 0.661 . . . . 0.0 112.134 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.459 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 96.9 mt -124.65 120.15 31.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.322 172.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.5 t -113.14 116.37 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.089 0.471 . . . . 0.0 111.62 -173.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.425 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HB2' HD22 ' A' ' 75' ' ' LEU . 15.8 m120 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.988 0.423 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -88.92 99.97 12.82 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.742 0.782 . . . . 0.0 109.989 -177.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 76' ' ' ILE . 78.1 mt-30 -95.05 155.13 16.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.05 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.23 111.68 23.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.0 tp -99.79 107.84 19.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.024 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 15.9 m -110.27 122.81 48.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.937 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 29' ' ' THR . 45.2 tp -137.95 159.79 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.087 0.47 . . . . 0.0 110.624 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.46 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -130.18 159.35 37.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.416 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.06 33.02 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.35 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.427 HG11 HD22 ' A' ' 44' ' ' LEU . 59.1 t -90.82 123.76 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -98.38 -33.99 10.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 24.5 ttmt -157.4 153.09 26.66 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.865 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -104.69 121.25 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.29 -49.75 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -147.46 138.12 23.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.721 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -120.34 105.13 10.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.247 0.546 . . . . 0.0 111.059 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -133.91 142.07 42.11 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.82 -10.42 5.47 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.079 2.519 . . . . 0.0 113.413 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -95.6 -31.3 13.35 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 33.6 tt0 -158.97 125.59 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 -174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.5 121.55 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.001 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.94 105.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.553 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 31' ' ' VAL . 94.5 mt -97.75 118.03 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 31.2 tt0 -79.92 112.87 17.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 p -99.69 173.55 6.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.374 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -35.55 -55.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.377 1.048 . . . . 0.0 111.804 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -139.96 72.42 1.4 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.288 0.566 . . . . 0.0 109.644 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.17 -169.38 36.73 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.635 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.3 t -139.03 126.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 tp -96.96 111.18 23.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.713 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 41.3 t -90.39 101.76 14.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.711 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 46.2 mt -89.58 110.39 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -108.73 137.75 46.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 169.82 -138.34 4.98 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.306 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.601 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 25.0 tt0 -157.59 152.29 25.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 34.7 mmtp 65.8 29.64 10.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.595 0.236 . . . . 0.0 110.473 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD21 HG22 ' A' ' 53' ' ' ILE . 8.3 mp -70.49 73.24 0.52 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.611 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.872 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.052 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 112.825 -0.11 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -113.84 124.2 51.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 72' ' ' VAL . 11.3 p -118.58 134.85 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.007 0.432 . . . . 0.0 111.075 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.64 106.28 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.55 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG23 HG22 ' A' ' 70' ' ' VAL . 59.5 t -117.24 126.0 74.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.653 0.263 . . . . 0.0 110.609 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -115.48 125.79 53.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 172.99 -175.45 45.93 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.923 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 22' ' ' ASN . 42.0 mt -87.3 83.8 7.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.492 HD11 ' OE1' ' A' ' 24' ' ' GLN . 39.4 pt -72.54 145.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.29 0.567 . . . . 0.0 110.587 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.454 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 35.2 t70 -113.11 -45.81 3.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.477 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.66 163.45 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 87.9 mt -131.07 125.74 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 59.5 t -117.28 128.08 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.603 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -77.84 89.81 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -89.89 146.4 24.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.98 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.97 112.19 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.686 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.7 107.27 18.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.35 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 14.9 m -104.42 122.99 46.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.177 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 122' ' ' LEU . 36.0 tp -127.7 132.92 49.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -109.45 125.58 52.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.107 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.55 4.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.172 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.432 HG11 HD22 ' B' ' 115' ' ' LEU . 27.6 t -84.36 144.02 10.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -106.6 -47.8 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.656 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -149.78 146.63 27.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.19 119.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 171.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.54 HE21 ' HB2' ' B' ' 116' ' ' GLU . 73.3 mt-30 -77.47 -41.8 38.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.431 . . . . 0.0 110.43 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -150.96 132.9 15.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.816 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -116.96 105.81 12.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.221 0.534 . . . . 0.0 110.267 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.35 140.71 36.87 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.61 -16.9 11.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.777 2.318 . . . . 0.0 113.522 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -118.74 1.39 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.585 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 36.5 tt0 -163.34 120.62 1.86 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.066 0.46 . . . . 0.0 111.7 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.457 HG13 HD23 ' B' ' 129' ' ' LEU . 62.0 mt -116.59 125.11 73.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 94.3 mt -103.33 104.2 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.461 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.485 HD12 HD23 ' B' ' 122' ' ' LEU . 93.3 mt -98.82 115.52 28.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.091 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.54 ' HB2' HE21 ' B' ' 106' ' ' GLN . 41.6 tt0 -83.77 116.16 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.3 t -124.26 -177.75 3.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.76 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.633 HG22 ' HG3' ' B' ' 119' ' ' GLN . 41.2 mt -34.25 -68.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.027 1.331 . . . . 0.0 113.474 -171.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.633 ' HG3' HG22 ' B' ' 118' ' ' ILE . 24.5 mt-30 -129.55 49.28 2.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.736 0.303 . . . . 0.0 110.73 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.87 -169.6 40.89 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.459 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.0 140.23 48.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 99' ' ' LEU . 59.6 tp -104.13 114.9 29.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.519 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.6 t -98.78 104.55 16.61 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 24.8 mt -95.23 115.8 35.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.23 140.39 47.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.29 -137.07 4.65 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 156.72 34.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 65.21 32.51 9.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 0.0 110.439 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.457 HD23 HG13 ' B' ' 113' ' ' ILE . 7.9 mp -74.26 75.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.756 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.215 178.145 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -112.11 110.33 20.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 15.0 p -113.16 141.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.064 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -130.75 106.38 8.42 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.18 126.57 56.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 -175.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -113.6 129.32 56.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.599 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.29 38.59 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.532 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 62.3 mt -89.11 86.56 6.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.53 124.38 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.275 0.56 . . . . 0.0 110.646 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -94.8 -47.53 6.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.793 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -150.13 145.51 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.944 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.401 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 4.3 mm? -116.15 127.51 54.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.753 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.0 t -123.47 123.98 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.077 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 17.5 t80 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.519 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 65.1 mtt180 67.34 94.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.346 0.593 . . . . 0.0 109.935 -171.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -106.08 157.89 17.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.98 112.55 24.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.73 109.38 20.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.74 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 m -116.62 131.25 57.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.238 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -140.71 137.6 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.665 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -105.85 148.02 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.787 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 -9.39 33.33 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.701 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.26 129.58 22.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -91.65 -43.98 9.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -166.24 170.6 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.4 t -102.77 129.15 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.889 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -84.89 -57.88 2.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.138 0.494 . . . . 0.0 110.528 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -124.97 132.16 53.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.69 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -123.58 105.33 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 111.133 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -132.73 140.8 38.88 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.15 -6.79 4.09 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.078 2.519 . . . . 0.0 113.62 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.53 0.3 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.81 105.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.819 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.89 132.44 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' SER . 92.5 mt -109.57 104.61 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.489 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 70' ' ' VAL . 93.3 mt -92.99 120.01 32.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.781 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.83 115.1 27.62 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -123.65 -168.57 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.776 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.18 105.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 112.172 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 61.97 18.98 10.37 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.986 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 157.31 28.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -121.04 125.31 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 58.7 tp -96.38 109.81 22.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.835 0.35 . . . . 0.0 110.239 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.633 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.7 t -89.26 103.49 16.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.116 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.2 mt -95.31 116.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.484 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -126.53 143.59 51.15 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.102 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 164.02 -137.78 4.94 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.245 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 134.82 46.16 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.442 0.297 . . . . 0.0 110.99 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 56.59 60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.776 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.55 72.04 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.644 -178.112 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.19 125.07 17.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 HD22 ' A' ' 44' ' ' LEU . 80.3 t -108.04 138.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.52 106.57 6.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.409 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.45 136.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.98 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -120.74 125.55 47.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.461 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 163.49 -166.22 37.12 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.135 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.2 mt -89.24 97.19 11.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -86.36 110.37 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.094 0.473 . . . . 0.0 110.26 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 1.1 m-20 -86.27 -39.35 16.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.27 161.36 42.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 111.471 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.452 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 96.9 mt -139.93 118.24 12.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.118 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -115.21 120.55 64.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 11.9 t80 . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -75.82 112.64 12.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -98.75 135.25 40.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.834 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.47 113.6 25.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.521 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.78 116.7 32.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 11.5 t -113.6 133.57 55.21 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.81 141.2 34.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.679 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 58.7 p -115.53 19.18 15.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -126.85 34.9 3.01 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.668 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 44.3 t -100.08 140.62 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -105.01 -40.28 5.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 39.9 ttmt -165.57 163.09 19.41 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.627 HG12 HD23 ' B' ' 115' ' ' LEU . 33.8 m -100.57 125.64 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.083 0.468 . . . . 0.0 110.13 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -79.75 -55.03 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.216 0.531 . . . . 0.0 110.032 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.1 m -130.8 118.61 21.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.051 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -105.26 105.72 15.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.87 140.43 37.66 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.14 -23.78 30.62 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.851 2.367 . . . . 0.0 113.854 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 30.4 mttp -102.83 -15.21 16.3 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 29.4 tt0 -161.75 117.3 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.198 0.523 . . . . 0.0 111.294 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.91 129.94 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.265 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -100.36 100.43 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.192 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.627 HD23 HG12 ' B' ' 105' ' ' VAL . 95.4 mt -89.14 118.74 29.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.113 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.62 103.93 12.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 57.3 p -84.66 -164.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 118' ' ' ILE . 37.3 mt -56.29 91.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.454 0.471 . . . . 0.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 62.23 10.93 4.1 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.482 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.94 -172.86 13.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.99 132.18 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.65 0.262 . . . . 0.0 110.473 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 66.2 tp -115.02 116.09 27.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.718 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.5 t -90.31 112.91 24.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 0.0 110.31 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -92.55 116.0 32.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -113.01 138.26 50.15 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.276 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.733 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 160.94 -163.61 34.33 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.508 ' HG3' ' HE3' ' B' ' 111' ' ' LYS . 4.0 mp0 -117.08 144.32 44.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.884 0.342 . . . . 0.0 110.687 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 57.31 50.25 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.012 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.12 72.1 1.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.257 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.872 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.757 -178.846 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 70.2 mt-30 -105.41 117.33 33.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.0 p -118.95 151.74 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 0.0 110.951 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -139.37 110.76 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.47 131.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.714 0.292 . . . . 0.0 110.663 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.13 131.72 56.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.2 -174.26 46.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.777 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.4 71.4 3.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.733 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 14.4 pt -75.15 134.52 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.441 0.638 . . . . 0.0 111.834 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.53 -29.76 11.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.887 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . 0.487 ' C ' HD22 ' B' ' 150' ' ' LEU . . . -156.91 160.8 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 112.837 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.525 HD21 HD12 ' B' ' 147' ' ' ILE . 3.8 mm? -136.06 118.04 15.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.564 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 53.7 t -117.13 113.33 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.943 0.402 . . . . 0.0 111.32 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.452 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 79.9 mtt180 -73.89 108.33 6.64 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.793 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HB2' HD11 ' A' ' 76' ' ' ILE . 80.1 mt-30 -106.95 143.42 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.656 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.72 112.6 24.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -107.43 133.61 51.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.653 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.699 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 32.2 t -132.72 117.05 17.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 tp -124.66 132.42 53.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 69' ' ' GLN . 30.4 p -101.65 122.76 44.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.4 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.17 27.73 1.79 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.05 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 44' ' ' LEU . 61.2 t -94.07 128.15 45.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -100.53 -17.38 17.13 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -169.0 153.59 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.804 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 m -103.94 109.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 76.5 mt-30 -69.9 -55.0 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -174.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 m -133.94 119.74 19.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.013 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -93.33 105.41 17.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.265 0.555 . . . . 0.0 110.035 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.547 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 14.6 t70 -131.21 132.98 24.05 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 26.6 Cg_exo -62.89 -9.67 17.44 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.793 2.329 . . . . 0.0 113.453 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -117.95 -1.99 11.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 111.269 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 44.2 tt0 -168.26 108.1 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.192 0.52 . . . . 0.0 111.498 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 HD23 ' A' ' 58' ' ' LEU . 65.9 mt -104.27 122.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.187 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -94.95 106.46 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 91.6 mt -91.49 122.53 34.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 43.7 tt0 -94.07 116.08 28.47 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -106.76 178.24 4.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.537 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.62 HG13 ' H ' ' A' ' 48' ' ' GLN . 8.2 pt -30.51 -57.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 124.669 1.231 . . . . 0.0 113.033 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' H ' HG13 ' A' ' 47' ' ' ILE . 24.6 mm-40 -147.8 58.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.355 0.598 . . . . 0.0 110.339 173.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.19 -179.71 41.89 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.923 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.84 121.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 59.3 tp -96.39 107.58 19.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.719 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -89.2 103.15 15.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 50.4 mt -89.59 114.16 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -109.58 144.99 37.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.62 -146.94 14.73 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.891 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -141.15 154.14 45.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.664 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 11.0 tmtt? 60.77 49.14 6.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.628 0.728 . . . . 0.0 109.04 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG13 ' A' ' 42' ' ' ILE . 7.9 mp -80.7 72.14 7.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.379 0.609 . . . . 0.0 110.277 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.827 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.121 -178.597 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 113.211 0.044 . . . . 0.0 113.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.646 ' HG2' HG22 ' A' ' 29' ' ' THR . 15.1 mt-30 -87.58 134.36 33.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.76 0.314 . . . . 0.0 110.585 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.6 122.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.519 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.39 127.37 53.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.04 142.95 37.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.646 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -128.81 136.44 50.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.969 0.414 . . . . 0.0 110.432 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 154.58 -164.02 31.44 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.574 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.56 67.24 10.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 24' ' ' GLN . 25.2 pt -74.57 118.78 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.395 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -87.92 -55.68 3.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.096 -173.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.6 149.8 39.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.218 0.532 . . . . 0.0 111.56 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.558 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 79.9 mt -115.9 122.39 45.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.013 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.719 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 59.5 t -108.81 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.897 0.379 . . . . 0.0 110.692 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.367 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -81.72 93.2 6.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.259 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.91 141.67 28.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.973 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -98.0 116.71 30.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.7 tp -109.66 110.81 21.96 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.699 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 15.4 m -104.28 114.3 28.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.878 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.47 150.69 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.327 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.563 HG22 ' HG2' ' B' ' 140' ' ' GLN . 3.3 p -125.21 158.25 34.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.895 176.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.05 58.74 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.686 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' B' ' 139' ' ' GLY . 57.8 t -58.8 106.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.153 0.501 . . . . 0.0 110.195 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -94.85 -27.1 15.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.547 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 87.9 tttt -158.9 155.24 27.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.638 0.256 . . . . 0.0 110.624 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.22 126.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -92.21 -59.74 2.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.979 0.418 . . . . 0.0 110.908 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -141.23 139.18 33.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.272 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -114.13 105.52 13.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 13.0 t70 -133.79 136.24 26.22 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 42.7 Cg_exo -58.45 -16.01 27.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.672 2.248 . . . . 0.0 113.477 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -108.63 -6.73 15.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 44.5 tt0 -165.21 113.38 1.01 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 111.278 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.522 HG12 HD23 ' B' ' 129' ' ' LEU . 41.0 mm -103.88 125.32 58.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 123' ' ' SER . 89.2 mt -102.14 107.18 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.055 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' B' ' 113' ' ' ILE . 96.1 mt -108.97 126.28 52.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 27.1 tt0 -87.25 104.65 16.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.2 t -94.5 -163.85 1.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.5 mt -52.44 93.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 61.68 21.24 12.0 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.058 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.65 160.76 28.61 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.107 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.07 125.34 73.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.199 0.5 . . . . 0.0 111.033 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' B' ' 152' ' ' TYR . 41.8 tp -95.99 126.19 41.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.793 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 42.2 t -101.44 106.24 17.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.82 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 57.6 mt -90.66 110.35 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.49 ' HE3' ' HB3' ' B' ' 149' ' ' ALA . 50.8 mtmt -105.44 125.55 51.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 176.07 -143.32 6.46 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.862 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.22 143.17 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 tttm 66.69 43.9 2.32 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.583 0.552 . . . . 0.0 110.647 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 113' ' ' ILE . 9.7 mp -73.96 73.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.64 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.212 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.788 -179.801 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 102' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.808 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.563 ' HG2' HG22 ' B' ' 100' ' ' THR . 12.5 mt-30 -138.44 136.03 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.415 HG12 HG21 ' B' ' 102' ' ' VAL . 12.8 p -148.81 136.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.142 0.496 . . . . 0.0 111.083 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.51 113.98 21.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.273 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 19.3 m -109.49 151.93 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.44 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.79 139.3 46.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.97 -170.88 41.61 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 60.0 mt -95.57 79.97 3.42 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.693 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 29.1 pt -87.87 139.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.029 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.55 -33.47 9.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.904 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . 0.49 ' HB3' ' HE3' ' B' ' 125' ' ' LYS . . . -161.13 151.07 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 112.14 -177.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.431 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 71.9 mt -118.97 132.21 56.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.346 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.793 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 58.7 t -109.72 111.47 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.788 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.599 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.38 177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HA ' HG21 ' B' ' 118' ' ' ILE . 7.5 m120 . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.3 ptm180 -88.76 137.81 31.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.791 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.55 149.05 43.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.099 -169.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.69 128.18 44.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD11 ' B' ' 97' ' ' LEU . 34.4 tp -115.7 115.81 26.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -113.71 122.3 46.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -131.65 142.23 49.8 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.778 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.6 p -113.76 150.79 32.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.873 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.1 39.95 6.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.921 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 70' ' ' VAL . 48.7 t -99.01 126.91 52.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.512 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -75.53 -51.44 12.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.91 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -172.93 170.95 4.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.101 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.47 117.13 46.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.214 0.531 . . . . 0.0 109.777 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -73.27 -59.2 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -125.74 117.5 23.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.561 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -107.11 106.25 16.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -130.34 139.78 36.66 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.92 -1.89 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.891 2.394 . . . . 0.0 113.748 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -131.97 1.95 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.26 -0.275 . . . . 0.0 111.507 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.14 102.67 1.12 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.147 0.498 . . . . 0.0 110.716 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.432 HG22 ' HG ' ' A' ' 44' ' ' LEU . 60.0 mt -107.22 117.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.996 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -101.35 99.51 9.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.077 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 70' ' ' VAL . 94.2 mt -95.15 125.56 39.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.08 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -88.99 116.12 27.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.621 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -114.94 -172.59 2.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.177 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.5 mt -32.56 -58.95 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.3 1.04 . . . . 0.0 113.644 -169.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -139.29 24.76 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.496 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 177.93 34.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.563 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.86 126.93 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -96.37 119.84 35.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.661 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 10.8 m -95.87 103.98 15.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.035 0.445 . . . . 0.0 110.548 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.485 HG22 HD21 ' A' ' 58' ' ' LEU . 48.4 mt -101.23 117.01 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.708 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -128.21 153.38 46.99 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.296 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.47 -144.83 10.81 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.116 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 54.1 mm-40 -118.08 135.28 54.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.192 0.197 . . . . 0.0 110.943 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.29 45.88 10.82 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 HG22 ' A' ' 53' ' ' ILE . 9.7 mp -74.58 72.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.05 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.402 -173.067 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -129.94 144.93 51.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG12 HG21 ' A' ' 31' ' ' VAL . 14.6 p -141.93 143.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.716 0.293 . . . . 0.0 110.416 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.51 106.04 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.007 0.432 . . . . 0.0 110.062 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.45 173.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -139.81 161.15 38.25 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.995 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.73 33.08 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.592 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 7.8 mt -95.61 76.4 3.28 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 pt -67.06 134.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.302 0.572 . . . . 0.0 111.034 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.37 -43.6 6.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.76 147.23 24.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.433 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.7 mt -116.27 117.81 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.661 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 57.4 t -114.42 118.77 59.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 111.348 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 4.3 t80 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.92 137.11 41.47 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -107.89 151.19 26.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.965 0.412 . . . . 0.0 110.945 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -104.29 112.28 25.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.075 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.506 ' HB3' ' CG1' ' B' ' 143' ' ' VAL . 55.7 tp -108.83 120.56 42.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.82 0.343 . . . . 0.0 110.219 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 19.0 m -108.14 115.63 30.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.217 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 tp -112.47 125.66 54.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.83 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 61.7 p -99.6 113.68 26.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.727 0.299 . . . . 0.0 111.623 -175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.83 49.01 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.131 -1.033 . . . . 0.0 112.868 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 115' ' ' LEU . 48.7 t -103.3 121.94 55.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -93.36 -39.3 11.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -141.7 142.91 33.34 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.085 -174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.65 111.94 34.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -74.0 -32.98 63.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -152.56 129.39 10.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.091 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -110.75 103.33 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.169 0.509 . . . . 0.0 110.402 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 27.7 t70 -135.23 135.95 23.63 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.17 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 26.7 Cg_exo -63.44 -1.42 3.12 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.89 2.393 . . . . 0.0 113.983 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.557 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 44.8 mmtm -111.76 -19.68 12.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 111.471 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 24.9 tp10 -159.27 116.72 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.57 127.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.602 0.239 . . . . 0.0 110.491 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.1 mt -104.74 101.75 11.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.621 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 102' ' ' VAL . 87.3 mt -94.73 124.73 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -89.26 105.85 18.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.7 t -123.47 -164.97 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.42 ' H ' HG13 ' B' ' 118' ' ' ILE . 47.3 mt -53.32 98.11 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.186 0.594 . . . . 0.0 112.461 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 56.84 26.79 12.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . 0.438 ' HA3' ' OH ' ' B' ' 152' ' ' TYR . . . -165.48 171.31 40.7 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.85 126.71 68.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.31 122.25 38.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.607 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 23.1 m -95.08 102.89 14.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.004 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.496 HG22 HD21 ' B' ' 129' ' ' LEU . 47.2 mt -93.28 112.28 26.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.09 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -105.42 136.86 44.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 165.47 -162.19 35.57 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.292 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.605 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 33.1 mt-10 -121.89 150.86 41.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.48 0.181 . . . . 0.0 110.849 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.605 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 11.6 mptt 63.68 29.54 14.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.496 HD21 HG22 ' B' ' 124' ' ' ILE . 6.2 mp -69.88 73.94 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.483 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.761 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.181 177.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -89.39 130.44 35.75 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.57 128.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.009 0.433 . . . . 0.0 111.305 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.09 106.99 17.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.087 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' B' ' 97' ' ' LEU . 7.1 p -102.53 132.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 110.214 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.52 125.67 52.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.359 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.36 174.42 39.05 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.484 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.458 HD13 ' HD3' ' B' ' 128' ' ' LYS . 5.3 mp -91.52 87.83 6.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.627 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 30.4 pt -79.98 131.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.363 0.602 . . . . 0.0 111.621 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . 0.472 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 14.9 m-20 -83.89 -39.82 19.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.36 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -164.06 154.29 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.413 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 89.2 mt -116.5 120.53 39.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 43.6 t -115.16 132.2 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.83 0.347 . . . . 0.0 111.041 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.44 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.7 t80 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.739 0.304 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -72.21 117.45 13.86 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 120.834 0.349 . . . . 0.0 110.545 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.549 HE22 ' HB ' ' B' ' 117' ' ' THR . 88.9 mt-30 -105.87 163.93 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 49.1 t80 -121.42 126.93 50.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.922 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.75 125.46 52.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.919 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 33.0 t -118.47 110.55 17.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 31' ' ' VAL . 34.3 tp -110.45 124.57 52.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.757 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 48.6 m -112.43 99.04 7.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 -176.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.17 22.34 0.22 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.463 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 HD23 ' A' ' 28' ' ' LEU . 45.3 t -79.26 135.03 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -90.43 -51.45 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.37 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 45.8 mtmt -145.86 165.46 28.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 111.529 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 44' ' ' LEU . 17.8 m -105.23 118.9 53.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.114 168.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -82.71 -41.44 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 110.712 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 43' ' ' LEU . 26.7 t -150.22 154.05 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -134.02 104.09 6.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.877 0.37 . . . . 0.0 110.24 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.6 m-20 -122.05 146.68 47.08 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 28.0 Cg_exo -62.12 -12.02 24.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -125.37 8.11 7.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 36.8 tt0 -165.69 105.32 0.71 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.932 0.396 . . . . 0.0 111.324 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 50.4 mm -105.57 123.3 59.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 36' ' ' SER . 84.2 mt -101.97 102.7 13.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 0.0 110.727 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 34' ' ' VAL . 85.5 mt -100.57 127.94 46.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.16 116.52 27.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -118.89 -162.58 0.91 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.696 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -41.81 92.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.012 0.925 . . . . 0.0 112.429 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 49.74 24.5 1.25 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.883 0.873 . . . . 0.0 112.244 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.9 -173.28 22.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.215 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.74 140.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 tp -110.9 123.53 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.89 107.55 19.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.26 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 53.0 mt -89.31 115.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -111.3 140.91 45.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' OD2' ' A' ' 77' ' ' ASP . . . 163.26 -152.19 22.15 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -132.43 146.25 51.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.026 0.413 . . . . 0.0 109.997 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.06 49.69 7.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.407 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 42' ' ' ILE . 10.1 mp -72.34 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.445 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 CA-C-N 115.804 -0.634 . . . . 0.0 113.701 -173.77 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.754 -0.138 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 29' ' ' THR . 50.7 mt-30 -81.72 119.89 24.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.35 . . . . 0.0 111.425 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.02 119.1 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -126.1 120.41 30.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.67 150.91 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.575 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.4 138.77 47.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -168.01 40.26 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.026 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.15 74.7 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 28.2 pt -76.95 122.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 0.0 110.868 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.553 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 48.4 m-20 -87.76 -40.98 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.384 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.7 152.27 26.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.359 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.545 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 84.2 mt -116.06 113.96 23.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.2 t -109.66 112.38 40.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 110.898 -175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 9.7 t80 . . . . . 0 C--N 1.316 -0.853 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.484 HD22 HD22 ' B' ' 146' ' ' LEU . 3.8 p-10 . . . . . 0 C--O 1.231 0.081 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.1 132.61 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.387 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' ' 29' ' ' THR . 14.2 tt0 -127.25 153.84 45.62 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.887 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.757 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 48.6 m-85 -101.67 115.78 31.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.729 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.8 tp -111.24 109.76 19.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.918 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.919 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 4.8 m -111.5 112.78 24.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.412 HD22 HD22 ' B' ' 122' ' ' LEU . 49.6 tp -106.67 127.82 53.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 20.9 m -114.41 109.83 18.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.091 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 29.08 0.68 Allowed Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.844 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.62 144.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.3 m -107.88 -39.76 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.06 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -168.31 165.14 13.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 p -105.5 137.3 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.791 0.329 . . . . 0.0 110.266 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 45.3 mt-30 -90.49 -56.0 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.57 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.487 ' HB2' HD12 ' B' ' 114' ' ' LEU . 23.4 m -136.59 137.09 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' B' ' 113' ' ' ILE . 37.3 t80 -127.02 106.12 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.186 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.42 148.57 70.2 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 -17.99 51.43 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.695 2.263 . . . . 0.0 113.065 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -103.21 -15.23 16.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 43.6 tt0 -157.31 118.5 3.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.164 0.506 . . . . 0.0 111.591 -174.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.525 HG12 HD23 ' B' ' 129' ' ' LEU . 49.0 mm -109.13 123.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.599 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 107' ' ' SER . 94.9 mt -108.33 96.16 6.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.866 0.365 . . . . 0.0 110.445 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 93.7 mt -89.9 142.41 27.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.0 tm-20 -112.99 118.54 35.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.549 ' HB ' HE22 ' A' ' 24' ' ' GLN . 47.5 p -109.38 -174.34 2.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 20.1 pt -34.98 -43.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.063 0.945 . . . . 0.0 113.41 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -158.98 30.8 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.441 . . . . 0.0 110.228 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -148.93 172.22 29.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.743 -1.217 . . . . 0.0 113.133 -174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.72 139.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.164 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 66.2 tp -115.07 110.49 19.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.033 176.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -95.85 102.67 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.297 0.57 . . . . 0.0 110.241 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 41.3 mt -96.64 126.8 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.217 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -127.42 145.6 50.77 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 160.83 -142.42 8.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.578 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.695 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 45.2 mm-40 -123.92 136.51 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.626 0.251 . . . . 0.0 111.101 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 2.2 mptp? 54.03 51.4 14.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.74 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.525 HD23 HG12 ' B' ' 113' ' ' ILE . 7.1 mp -76.08 73.01 2.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.473 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.01 -179.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.558 ' HB2' HG23 ' B' ' 100' ' ' THR . 50.2 tt0 -123.54 138.81 54.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.328 . . . . 0.0 110.636 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.43 136.32 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' B' ' 98' ' ' SER . 9.1 mp0 -106.38 118.55 36.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.08 146.05 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 110.463 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -119.92 139.58 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 174.68 -179.35 46.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.538 -1.315 . . . . 0.0 112.963 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.484 HD22 HD22 ' B' ' 93' ' ' ASN . 12.6 mt -95.02 89.09 5.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.27 118.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.527 0.68 . . . . 0.0 111.775 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.51 -43.46 12.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.76 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -156.08 164.25 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.905 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 96.1 mt -138.09 116.95 12.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.044 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.61 119.36 60.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.545 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.545 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 2.5 t80 . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 15.6 ptp180 -69.53 108.26 3.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 109.63 174.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.566 HE21 ' HA3' ' B' ' 101' ' ' GLY . 51.8 mt-30 -109.35 172.97 6.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.609 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -105.97 112.92 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.005 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -109.94 119.0 37.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.741 0.305 . . . . 0.0 110.384 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 23.3 m -122.27 121.43 36.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.235 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 97' ' ' LEU . 34.5 tp -133.66 138.25 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 -176.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.9 p -106.85 161.13 14.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.371 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.8 9.11 53.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.15 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.1 119.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -91.55 -30.53 16.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -165.15 148.73 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.983 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.82 123.36 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 mm100 -81.74 -55.99 4.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.921 -176.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -147.47 127.28 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -104.6 104.44 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.0 m-20 -132.63 138.91 33.1 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.572 175.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 15.6 Cg_exo -69.2 9.25 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.863 2.375 . . . . 0.0 112.166 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.2 mmtt -118.43 -16.16 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 9.6 tp10 -175.38 114.19 0.14 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.84 -173.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.593 HG22 ' HG ' ' A' ' 44' ' ' LEU . 58.2 mt -114.1 122.31 67.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.062 0.458 . . . . 0.0 110.478 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 35' ' ' GLN . 97.3 mt -102.29 105.13 15.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.2 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.593 ' HG ' HG22 ' A' ' 42' ' ' ILE . 94.9 mt -112.2 118.04 34.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.712 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 38.8 tt0 -88.76 112.47 23.22 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.542 0.687 . . . . 0.0 110.238 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -92.72 -161.43 0.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.379 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.706 HG21 HD22 ' B' ' 93' ' ' ASN . 11.2 mm -50.97 90.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 57.83 27.46 14.57 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.384 0.674 . . . . 0.0 111.536 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.61 4.98 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.693 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 30.8 t -95.82 127.09 48.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.226 0.513 . . . . 0.0 110.626 -176.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.9 tp -96.59 122.27 39.33 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.523 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.5 t -101.44 113.36 26.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.9 mt -109.92 109.64 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.34 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 2.2 tmmt? -105.1 139.55 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.882 0.372 . . . . 0.0 110.409 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 172.0 -151.74 15.6 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.89 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.08 150.99 41.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.475 0.179 . . . . 0.0 110.767 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.64 30.09 19.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.43 0.633 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . 11.5 tp -79.35 72.65 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.623 -1.172 . . . . 0.0 111.184 -175.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.79 -177.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 112.141 -0.384 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.33 116.26 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 27' ' ' SER . 8.6 p -108.26 136.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.498 -176.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.44 112.22 16.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.858 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.5 144.79 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.76 0.314 . . . . 0.0 111.145 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -111.95 154.22 25.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 142.88 179.29 19.5 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.527 170.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 22' ' ' ASN . 61.2 mt -79.6 86.6 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.929 -0.396 . . . . 0.0 109.929 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.0 pt -77.01 121.05 28.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.269 0.556 . . . . 0.0 110.182 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.75 -44.66 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.859 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -136.23 135.35 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.173 0.511 . . . . 0.0 111.857 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 4.5 mm? -115.96 119.11 34.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.776 173.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 57.8 t -125.96 126.45 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 6.2 t80 . . . . . 0 C--N 1.321 -0.662 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.706 HD22 HG21 ' A' ' 47' ' ' ILE . 11.2 t-20 . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -76.05 99.56 4.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.768 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 93' ' ' ASN . 14.7 mt-30 -97.54 149.75 21.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.011 0.434 . . . . 0.0 111.383 -170.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.22 115.08 29.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.845 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 28' ' ' LEU . 51.1 tp -108.37 109.41 20.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.993 0.425 . . . . 0.0 110.491 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 42.0 m -106.15 111.7 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.909 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.0 tp -118.45 126.54 52.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.418 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 28.2 m -108.19 113.32 26.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.566 ' HA3' HE21 ' A' ' 24' ' ' GLN . . . 136.49 8.86 1.44 Allowed Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.105 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.55 129.59 36.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -89.77 -44.02 10.27 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.929 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -166.52 172.26 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.762 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 115' ' ' LEU . 29.0 m -104.58 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -93.89 -54.0 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.265 0.555 . . . . 0.0 109.657 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -138.34 121.86 17.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.266 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -110.68 104.57 13.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -133.68 140.26 36.17 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.484 ' O ' ' HA ' ' B' ' 127' ' ' GLU . 50.2 Cg_exo -55.15 -18.33 17.47 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 113.581 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 23.8 mmtp -91.98 -21.96 20.25 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 37.4 tt0 -166.37 112.77 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.139 0.495 . . . . 0.0 110.411 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.52 119.86 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.207 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.17 99.93 11.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.153 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.47 HD23 HG12 ' B' ' 105' ' ' VAL . 90.5 mt -93.83 124.54 37.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.855 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -88.45 107.94 19.13 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.0 t -119.15 145.26 46.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 46.4 mm 51.0 -85.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 123.509 0.505 . . . . 0.0 111.094 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -155.36 43.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.48 -179.89 27.55 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 25.9 t -122.18 128.89 75.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 117.06 0.43 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 63.6 tp -105.68 117.81 34.98 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 11.1 m -94.61 104.7 16.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 62.2 mt -91.92 109.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -103.35 143.79 32.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.174 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' B' ' 111' ' ' LYS . . . 155.05 -143.31 9.79 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 110' ' ' PRO . 13.6 pt-20 -161.02 170.4 20.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm 63.26 26.93 15.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.048 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.3 73.96 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.07 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.9 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.655 -178.22 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 35.5 tt0 -92.46 127.74 38.06 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.391 -0.476 . . . . 0.0 110.542 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 14.0 p -134.5 140.24 46.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -122.64 116.65 24.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.605 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.16 131.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -114.88 125.23 53.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.876 0.369 . . . . 0.0 110.403 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -177.53 -177.55 46.46 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.985 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.499 HD22 ' OD1' ' B' ' 93' ' ' ASN . 44.9 mt -85.74 90.37 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.37 115.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.449 0.642 . . . . 0.0 110.84 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.33 -48.87 18.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -157.8 148.38 20.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.727 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.491 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 94.8 mt -116.09 114.34 24.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.23 128.96 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.473 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 4.9 t80 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.551 ' HA ' HD12 ' B' ' 118' ' ' ILE . 5.1 m120 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 73.99 140.46 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.883 0.739 . . . . 0.0 111.507 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 15.3 mm-40 -124.02 143.36 50.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.1 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.49 112.95 25.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 172.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 99' ' ' LEU . 59.5 tp -119.07 132.99 56.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 0.0 110.849 -175.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -128.22 141.46 51.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.098 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 46' ' ' THR . 22.1 tp -136.33 152.21 50.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' B' ' 96' ' ' PHE . 7.7 m -125.38 149.5 48.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.59 0.233 . . . . 0.0 110.92 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.74 10.96 54.81 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.91 125.58 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.286 0.565 . . . . 0.0 111.314 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 t -83.7 -52.92 6.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.059 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -168.09 172.74 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.219 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 44' ' ' LEU . 29.8 m -95.9 135.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.098 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.8 mm100 -81.68 -57.4 3.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.444 0.64 . . . . 0.0 109.287 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 36.5 m -132.8 116.18 16.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.099 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -101.44 104.3 15.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -131.07 146.6 62.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.669 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.96 -17.36 43.98 Favored 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.86 2.373 . . . . 0.0 112.587 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.567 ' NZ ' ' HB3' ' A' ' 40' ' ' LYS . 8.7 mtpm? -108.94 -6.14 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.1 tt0 -169.24 123.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.0 111.199 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.409 HD12 HG11 ' A' ' 72' ' ' VAL . 67.5 mt -119.74 114.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.343 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 52' ' ' SER . 97.2 mt -91.21 114.09 26.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.93 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.584 HD13 HG11 ' A' ' 70' ' ' VAL . 95.6 mt -102.91 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.684 -175.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -90.48 100.76 13.54 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.509 HG21 HD21 ' A' ' 28' ' ' LEU . 9.9 t -124.84 147.09 48.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.938 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mm 43.27 -86.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.809 0.844 . . . . 0.0 113.148 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.687 HE21 ' HA ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -141.12 13.35 2.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.581 -178.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.76 156.9 26.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.704 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.4 t -105.92 124.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.308 . . . . 0.0 110.199 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.1 tp -95.99 126.77 41.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.618 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 16.0 m -98.66 101.38 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.336 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 63.2 mt -91.12 110.54 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OE1' ' A' ' 41' ' ' GLU . 63.5 mttm -105.34 146.32 29.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.62 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.26 -138.33 5.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.425 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -158.64 152.79 23.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 59.16 43.29 17.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.419 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.93 73.38 2.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.982 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.438 -178.384 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -129.63 160.25 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.796 0.332 . . . . 0.0 110.64 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 44' ' ' LEU . 9.1 p -138.47 138.67 42.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -138.45 107.03 5.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 HD12 ' A' ' 42' ' ' ILE . 63.3 t -131.3 144.72 36.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.461 -174.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -128.62 169.86 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.89 -164.73 24.97 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.477 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.14 82.66 5.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.776 0.322 . . . . 0.0 110.394 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -76.89 131.58 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.187 0.517 . . . . 0.0 110.162 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -94.84 -43.77 8.06 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.989 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -157.3 158.23 35.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.002 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 93.9 mt -127.01 138.61 53.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.1 t -134.66 127.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.026 0.441 . . . . 0.0 112.141 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 51' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.379 167.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.518 -0.262 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' B' ' 145' ' ' GLY . 35.9 mtt180 -69.64 99.81 1.37 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.619 170.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 144' ' ' GLU . 69.0 mt-30 -89.92 154.55 19.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.411 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 95.2 m-85 -96.61 112.74 24.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 48.1 tp -111.42 109.13 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 34.2 p -118.14 119.88 36.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 122' ' ' LEU . 48.2 tp -125.03 148.53 48.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.956 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 21.9 p -98.87 -173.37 2.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' B' ' 117' ' ' THR . . . 69.35 13.79 68.18 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.346 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.484 HG21 HG12 ' B' ' 141' ' ' VAL . 42.6 t -72.7 111.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.21 0.528 . . . . 0.0 110.108 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -95.58 -33.96 12.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.93 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' B' ' 116' ' ' GLU . 19.0 ptpt -168.53 162.41 12.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.018 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.57 118.73 53.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.997 0.427 . . . . 0.0 109.986 172.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.2 -41.44 63.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.5 t -150.94 127.16 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.75 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -115.37 105.14 12.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.221 0.534 . . . . 0.0 111.178 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' B' ' 111' ' ' LYS . 2.6 m-20 -126.56 150.45 70.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.576 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 28.8 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.158 2.572 . . . . 0.0 112.273 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 109' ' ' ASP . 18.6 ptpt -157.94 -34.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.605 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 13.1 tp10 -137.42 117.24 13.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.712 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.433 HD12 HD23 ' B' ' 129' ' ' LEU . 62.8 mt -123.81 121.77 63.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.846 0.355 . . . . 0.0 110.658 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 71.4 mt -101.01 100.61 11.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.205 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' B' ' 113' ' ' ILE . 93.3 mt -95.43 122.16 37.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.424 ' HB3' ' HG2' ' B' ' 104' ' ' LYS . 33.0 tt0 -90.41 122.74 33.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 49.3 p -121.74 -179.07 3.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.633 -171.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 22' ' ' ASN . 21.8 pt -33.15 -48.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.826 1.251 . . . . 0.0 114.209 -174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.447 ' N ' HG13 ' B' ' 118' ' ' ILE . 29.7 tt0 -155.71 49.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.52 171.74 39.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.321 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -124.04 130.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 99' ' ' LEU . 59.4 tp -97.2 123.74 41.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.59 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.875 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 47.4 t -98.59 104.46 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.731 176.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.552 ' HA ' HD13 ' B' ' 150' ' ' LEU . 38.3 mt -93.08 110.96 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.444 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 64.3 mttm -111.53 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.832 -177.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.549 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 176.1 -139.34 4.55 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -162.09 161.04 28.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 61.72 38.5 15.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.234 0.54 . . . . 0.0 110.228 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.433 HD23 HD12 ' B' ' 113' ' ' ILE . 8.1 mp -71.49 73.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.17 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.03 -179.026 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.36 149.73 31.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.484 HG12 HG21 ' B' ' 102' ' ' VAL . 9.3 p -141.52 134.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.988 0.423 . . . . 0.0 111.227 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.66 114.71 27.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.387 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.84 149.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.497 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 95' ' ' GLN . 2.7 pp20? -130.34 130.18 44.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.086 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' B' ' 94' ' ' ARG . . . 173.15 -171.15 44.26 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.057 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 70.2 mt -86.88 97.96 10.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.7 pt -97.29 125.38 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.046 0.45 . . . . 0.0 111.191 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . 0.549 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 13.3 m-20 -89.08 -51.97 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.352 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -145.22 143.5 30.31 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.163 0.506 . . . . 0.0 111.771 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' B' ' 124' ' ' ILE . 3.9 mm? -118.99 117.3 28.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.0 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.875 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.1 t -109.67 124.99 66.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.031 0.443 . . . . 0.0 111.531 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.624 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 10.6 ptm180 -65.62 141.27 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.179 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -120.18 148.74 43.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -173.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.5 112.84 24.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.635 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.1 tp -104.6 111.36 24.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.098 0.475 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 14.9 t -113.25 127.58 56.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.56 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 51' ' ' LEU . 37.0 tp -141.08 152.52 44.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -120.67 153.32 37.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.41 23.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.958 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 60.7 t -83.56 120.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t -75.01 -45.26 43.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 11.5 ptpt -163.91 161.12 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.698 -177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.35 118.85 47.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -74.36 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.121 0.486 . . . . 0.0 110.244 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 p -137.74 122.84 19.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.427 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -102.04 104.44 15.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 12.5 t70 -132.49 133.58 23.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.95 -9.5 10.02 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.009 2.473 . . . . 0.0 113.948 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -111.03 -16.26 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.324 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 30.6 tt0 -163.27 104.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.073 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.27 123.14 59.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.395 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -101.17 101.55 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.44 . . . . 0.0 110.265 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.89 113.23 25.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.32 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 50' ' ' VAL . 37.4 tt0 -76.44 102.3 5.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -100.24 172.35 7.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.371 -173.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 93' ' ' ASN . 0.9 OUTLIER -56.08 109.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 70.1 -4.68 1.46 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.866 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -157.67 136.15 4.7 Favored Glycine 0 C--O 1.219 -0.804 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.935 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 45' ' ' GLU . 49.0 t -88.59 126.9 41.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.929 0.365 . . . . 0.0 110.382 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 28' ' ' LEU . 54.8 tp -93.2 119.45 32.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.259 0.552 . . . . 0.0 110.095 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.976 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -101.67 109.68 21.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.104 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 58' ' ' LEU . 34.3 mt -102.2 111.29 31.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.15 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -109.77 138.57 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 173.09 -138.67 4.78 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.958 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 tt0 -151.18 140.79 21.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 56' ' ' GLU . 1.5 mppt? 65.96 31.69 8.99 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.822 0.449 . . . . 0.0 111.713 -178.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 53' ' ' ILE . 7.7 mp -72.22 75.26 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.744 0.418 . . . . 0.0 111.837 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.566 -179.632 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -108.48 121.16 44.38 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.97 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -125.67 105.26 8.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.29 137.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.1 148.03 36.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.75 175.46 37.59 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.01 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 23' ' ' ARG . 4.7 mp -95.76 90.49 5.68 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 pt -69.79 139.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.303 -171.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.22 -41.4 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.68 153.7 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.47 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD21 ' B' ' 122' ' ' LEU . 74.2 mt -116.34 128.29 55.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.976 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 71.4 t -117.34 116.23 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.01 0.433 . . . . 0.0 110.929 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.721 ' HA ' HD12 ' A' ' 47' ' ' ILE . 37.2 m-80 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.837 0.351 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 94' ' ' ARG . 36.8 mtp-105 -80.16 107.28 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -101.59 142.59 32.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.35 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 83.9 m-85 -97.76 116.45 29.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.8 tp -112.45 112.76 24.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 32.4 t -112.7 135.07 53.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.761 176.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 tp -142.77 149.67 39.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.949 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.494 HG22 ' HB3' ' B' ' 140' ' ' GLN . 49.8 p -116.94 170.64 8.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.662 0.267 . . . . 0.0 110.543 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.33 16.74 73.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.839 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.551 HG21 HG12 ' B' ' 141' ' ' VAL . 38.4 t -74.51 115.7 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.274 0.559 . . . . 0.0 110.455 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -83.06 -38.18 22.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.182 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 9.5 ttmm -165.92 161.86 17.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' B' ' 104' ' ' LYS . 7.5 m -104.3 104.83 17.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' B' ' 114' ' ' LEU . 77.7 mt-30 -74.77 -49.85 19.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.31 -171.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -123.68 129.38 51.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -121.15 102.84 8.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.481 0.658 . . . . 0.0 110.524 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -133.86 142.57 44.05 Favored Pre-proline 0 C--N 1.316 -0.889 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.94 -23.67 9.32 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.562 2.175 . . . . 0.0 113.458 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.34 0.73 12.29 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -157.67 121.27 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.39 128.81 48.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.095 0.474 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' B' ' 123' ' ' SER . 88.8 mt -101.67 107.44 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.316 176.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.0 110.99 22.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.661 0.267 . . . . 0.0 110.485 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.36 114.04 13.44 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.1 t -122.14 -176.72 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.767 0.318 . . . . 0.0 110.305 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.72 117.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.98 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 71.32 7.54 6.11 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.037 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.68 -174.1 38.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.756 -1.211 . . . . 0.0 113.253 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 138.28 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.64 HD22 ' HD2' ' B' ' 152' ' ' TYR . 0.1 OUTLIER -96.06 105.45 17.49 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.951 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 33.4 t -86.84 101.54 13.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.45 HG22 HD21 ' B' ' 129' ' ' LEU . 32.4 mt -97.91 114.43 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -113.69 134.86 54.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 174.24 -137.59 4.05 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -151.39 149.42 29.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.029 0.414 . . . . 0.0 110.597 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 63.62 41.8 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.731 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.45 HD21 HG22 ' B' ' 124' ' ' ILE . 11.0 mp -76.42 72.74 3.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.763 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.366 178.788 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' B' ' 100' ' ' THR . 20.5 pt20 -138.1 149.37 45.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.551 HG12 HG21 ' B' ' 102' ' ' VAL . 14.4 p -132.0 147.06 32.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.402 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -131.85 106.73 8.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.85 158.62 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.81 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.13 127.26 26.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.237 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.68 -167.59 39.11 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.72 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.66 99.02 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.406 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 21.2 pt -93.6 150.89 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.138 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.87 -45.09 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.928 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -140.83 145.47 36.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.965 0.412 . . . . 0.0 111.708 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 98.6 mt -122.42 116.05 23.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.9 t -109.09 121.86 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.743 0.306 . . . . 0.0 110.848 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.64 ' HD2' HD22 ' B' ' 122' ' ' LEU . 30.7 t80 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB3' HD12 ' A' ' 75' ' ' LEU . 27.8 t-20 . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.47 0.176 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 53.0 mtt180 -56.77 106.84 0.34 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.21 168.85 9.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.687 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 32.0 t80 -123.2 122.02 37.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.088 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD11 HD11 ' B' ' 97' ' ' LEU . 55.6 tp -123.82 126.14 45.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 28.9 t -121.33 117.67 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 46' ' ' THR . 33.0 tp -112.85 125.9 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.222 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 69' ' ' GLN . 21.1 m -109.65 113.13 25.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.72 34.85 0.16 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.905 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 46' ' ' THR . 45.3 t -99.39 125.11 53.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -100.16 -13.01 19.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -178.56 152.51 0.65 Allowed 'General case' 0 C--O 1.224 -0.265 0 O-C-N 123.127 0.267 . . . . 0.0 110.505 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.97 133.69 48.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -91.01 -60.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 m -134.1 133.99 41.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.878 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -114.26 105.2 12.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.926 0.393 . . . . 0.0 110.432 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 16.9 t70 -126.47 135.52 27.35 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.14 -18.75 18.55 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.079 2.519 . . . . 0.0 113.874 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.0 mttp -111.37 -5.3 14.65 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.7 tt0 -168.05 109.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 110.979 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.64 132.42 53.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.6 mt -102.74 106.39 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.027 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.11 124.48 47.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -88.41 100.65 13.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.547 HG21 HD21 ' A' ' 28' ' ' LEU . 34.4 p -99.89 -172.75 2.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.0 mt -53.01 96.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.602 0.564 . . . . 0.0 111.674 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 53.41 41.05 32.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.636 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.21 147.69 10.96 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.614 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -109.94 121.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.212 0.506 . . . . 0.0 111.013 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 81' ' ' TYR . 49.6 tp -96.83 122.03 39.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.456 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -98.91 107.83 20.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.606 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 37.3 mt -101.57 113.18 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.369 -178.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 8.3 mtpm? -101.28 148.55 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.678 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.91 -165.87 39.17 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 25.3 mt-10 -121.82 134.21 54.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.146 0.473 . . . . 0.0 109.751 172.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp 54.93 66.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.939 0.775 . . . . 0.0 111.174 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -80.19 72.51 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.075 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.665 178.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 112.381 -0.288 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 29' ' ' THR . 6.5 pt20 -104.93 128.86 53.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.228 0.537 . . . . 0.0 110.521 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.3 p -127.51 143.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.537 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HB2' ' HE1' ' A' ' 25' ' ' PHE . 17.7 pt-20 -122.21 140.81 52.15 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.2 136.11 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.483 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.75 133.22 44.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.986 0.422 . . . . 0.0 109.982 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 166.59 -164.28 37.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.849 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 3.0 mm? -88.8 71.05 8.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.678 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 12.7 pt -67.38 143.19 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.647 0.737 . . . . 0.0 112.454 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.85 -59.48 2.04 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.658 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' B' ' 152' ' ' TYR . . . -161.68 155.44 21.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.807 -171.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 4.1 mm? -115.46 118.3 32.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.59 176.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.42 121.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -174.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 51' ' ' LEU . 31.7 m-85 . . . . . 0 C--N 1.324 -0.538 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 164.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.621 HD22 ' N ' ' B' ' 93' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.645 0.259 . . . . 0.0 111.439 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.459 ' HG2' HD11 ' B' ' 146' ' ' LEU . 21.5 mtp180 -84.53 136.14 33.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 110.436 176.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -119.81 146.41 45.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.28 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -107.5 125.87 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.435 HD11 HD11 ' A' ' 26' ' ' LEU . 36.2 tp -117.01 114.68 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.093 0.473 . . . . 0.0 110.612 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 12.9 m -114.45 111.03 20.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.586 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 26' ' ' LEU . 49.8 tp -112.7 127.18 56.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.218 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 87.6 m -117.66 126.06 51.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.516 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.46 17.81 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.899 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.53 131.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -89.02 -36.47 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -163.56 165.77 23.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 m -104.16 132.3 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 172.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -85.7 -50.77 6.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 53.5 m -152.53 135.52 15.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.185 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -132.85 103.58 6.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.454 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.66 159.61 70.76 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 168.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' B' ' 129' ' ' LEU . 14.5 Cg_exo -70.44 12.47 0.39 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.906 2.404 . . . . 0.0 114.525 -174.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -122.26 -23.19 5.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.731 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.408 ' OE1' ' HG2' ' B' ' 125' ' ' LYS . 12.6 tp10 -155.95 122.64 5.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.862 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.9 mt -119.72 123.25 70.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.496 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 95.8 mt -108.94 102.65 11.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.11 177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -98.38 129.11 45.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.408 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.81 103.13 14.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 28.7 p -90.14 -172.05 3.34 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.904 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.27 103.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 65.2 24.14 12.3 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.019 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.43 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.052 -1.071 . . . . 0.0 112.822 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.21 123.29 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.526 HD11 HD12 ' B' ' 150' ' ' LEU . 50.3 tp -99.85 122.81 43.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 110.514 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.838 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 36.0 t -98.89 117.71 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.128 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.81 110.83 30.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.892 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.408 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 25.8 mtmt -104.08 130.41 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.938 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.56 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 173.39 -159.28 29.23 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.338 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.667 ' HG2' ' HG3' ' B' ' 128' ' ' LYS . 20.4 tt0 -130.04 144.41 51.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.667 ' HG3' ' HG2' ' B' ' 127' ' ' GLU . 62.0 mttp 67.18 30.41 7.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.905 0.482 . . . . 0.0 110.742 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.0 mp -75.39 73.21 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.579 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 C-N-CA 120.518 -0.848 . . . . 0.0 111.963 -178.641 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 113.651 0.22 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' B' ' 100' ' ' THR . 27.5 mt-30 -122.39 138.96 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.726 -0.279 . . . . 0.0 110.549 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.44 111.98 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.968 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -109.75 105.14 14.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.95 146.88 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.912 0.387 . . . . 0.0 110.515 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -123.96 147.82 47.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.045 0.45 . . . . 0.0 110.294 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.34 -161.52 34.58 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.655 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' B' ' 128' ' ' LYS . 5.4 mp -118.81 91.45 3.56 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.296 0.569 . . . . 0.0 109.716 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.56 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 26.8 pt -81.84 151.68 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.559 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . 0.423 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 22.1 m-20 -110.41 -42.7 4.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.245 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.1 154.74 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.225 0.536 . . . . 0.0 111.815 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.526 HD12 HD11 ' B' ' 122' ' ' LEU . 4.1 mm? -115.81 130.78 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.105 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.838 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 45.2 t -120.37 112.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.1 t80 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 75' ' ' LEU . 21.7 t-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 33.9 mtp180 48.83 71.42 0.37 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.716 0.77 . . . . 0.0 110.864 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.73 HE22 ' HA3' ' B' ' 101' ' ' GLY . 9.9 mm100 -95.73 157.71 15.77 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.963 -174.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -110.44 111.4 22.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -100.48 106.4 17.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 14.8 m -113.64 110.45 20.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.935 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.16 126.28 51.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.451 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 69' ' ' GLN . 27.1 m -103.86 113.08 26.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.024 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' ' 95' ' ' GLN . . . 137.01 33.68 0.22 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.793 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HD22 ' A' ' 44' ' ' LEU . 48.9 t -104.94 130.38 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 t -102.79 -29.8 11.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.575 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -159.44 159.15 33.27 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.822 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.77 120.45 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.428 HE22 HG22 ' A' ' 50' ' ' VAL . 80.1 mt-30 -84.79 -57.28 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.62 0.248 . . . . 0.0 110.549 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 47.4 m -126.83 128.97 47.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.15 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -116.28 106.07 13.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.024 0.44 . . . . 0.0 110.735 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -132.68 141.5 41.35 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 -16.06 33.39 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.156 1.904 . . . . 0.0 112.767 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -114.11 -7.36 13.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -161.88 149.9 14.88 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.47 0.652 . . . . 0.0 111.855 169.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG12 HD23 ' A' ' 58' ' ' LEU . 32.0 mm -133.25 131.61 58.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.057 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 52' ' ' SER . 37.6 mt -104.64 101.82 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 96.9 mt -91.74 128.52 37.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.279 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.24 104.39 16.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.794 ' HB ' HE22 ' B' ' 95' ' ' GLN . 35.8 p -95.52 -171.11 2.3 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.828 -175.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.2 96.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.277 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 67.63 20.89 9.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.888 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.3 20.31 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG22 HE22 ' A' ' 35' ' ' GLN . 16.6 t -136.49 153.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 44.7 tp -130.84 119.68 22.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.673 0.273 . . . . 0.0 110.424 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 2.5 m -99.71 122.72 43.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 mm -114.18 118.91 59.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.185 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 34.3 mtmt -100.87 146.28 27.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 -150.8 21.91 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.383 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HG3' ' HB2' ' A' ' 75' ' ' LEU . 7.9 pt-20 -149.79 148.07 28.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' A' ' 75' ' ' LEU . 5.8 mptt 60.53 44.29 11.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 42' ' ' ILE . 8.6 mp -74.59 72.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.691 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.685 -178.005 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.4 pt20 -99.87 129.62 45.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.417 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -127.51 118.37 49.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.443 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -106.36 118.63 37.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.859 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 t -117.67 126.49 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.846 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -116.85 157.97 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.144 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 141.74 -163.25 26.94 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD13 ' HD3' ' A' ' 57' ' ' LYS . 5.4 mp -95.62 83.92 3.85 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.2 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 pt -77.95 138.5 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.456 0.646 . . . . 0.0 110.633 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -94.4 -64.81 1.03 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.904 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -143.44 153.76 42.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.006 0.431 . . . . 0.0 111.0 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 53.6 mt -118.55 118.36 31.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.37 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.6 t -112.49 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.176 0.513 . . . . 0.0 110.948 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' B' ' 150' ' ' LEU . 1.3 t80 . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.478 ' HA ' HD23 ' B' ' 146' ' ' LEU . 44.8 mtt180 -66.65 127.35 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.794 HE22 ' HB ' ' A' ' 46' ' ' THR . 65.8 mt-30 -105.59 139.38 40.28 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.735 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' B' ' 144' ' ' GLU . 9.3 m-85 -106.82 118.05 35.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.277 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.0 tp -112.48 123.68 50.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.788 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 7.4 t -113.63 116.47 29.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' B' ' 122' ' ' LEU . 19.3 tp -120.28 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -108.19 167.04 10.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.73 ' HA3' HE22 ' A' ' 24' ' ' GLN . . . 76.35 18.68 79.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.228 173.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 30.4 t -79.95 107.81 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.972 0.415 . . . . 0.0 109.888 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.0 t -98.01 -26.34 14.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.561 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 86.7 tttt -149.48 138.27 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.066 0.46 . . . . 0.0 111.343 -176.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 8.2 m -99.17 108.44 22.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.213 0.53 . . . . 0.0 109.986 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.7 -29.96 36.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.197 0.522 . . . . 0.0 110.36 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t -166.31 135.88 3.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.889 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -127.91 104.53 7.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' B' ' 112' ' ' GLU . 2.1 m-20 -132.26 149.25 72.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.91 0.98 3.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.955 2.436 . . . . 0.0 112.909 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -125.42 -27.0 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.785 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 34.5 tt0 -156.66 114.67 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.93 0.395 . . . . 0.0 110.393 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 60.7 mt -107.93 137.09 41.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 123' ' ' SER . 81.4 mt -120.33 100.4 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.943 0.401 . . . . 0.0 110.122 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.539 HD13 HG11 ' B' ' 141' ' ' VAL . 82.9 mt -105.08 121.62 44.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.407 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 29.5 tt0 -88.22 116.27 26.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.169 0.509 . . . . 0.0 109.674 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 47.0 p -105.09 -178.5 3.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.491 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 69.8 mt -31.83 -61.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.447 1.092 . . . . 0.0 113.416 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.88 40.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.155 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.62 167.11 40.1 Favored Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.7 136.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.279 0.539 . . . . 0.0 111.004 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' B' ' 99' ' ' LEU . 4.2 mm? -95.27 111.61 23.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.146 177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.665 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 25.9 t -96.42 100.29 11.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 54.9 mt -95.59 111.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.954 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -100.91 143.04 31.54 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' B' ' 148' ' ' ASP . . . 164.13 -158.99 31.76 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.495 -1.335 . . . . 0.0 113.759 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -134.03 137.49 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.488 . . . . 0.0 110.746 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' B' ' 128' ' ' LYS . 3.7 ttmp? 65.34 39.5 5.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.523 0.678 . . . . 0.0 110.954 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.513 HD21 HG22 ' B' ' 124' ' ' ILE . 8.7 mp -75.95 73.84 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.75 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 -175.764 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.168 -0.24 . . . . 0.0 112.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -105.01 119.69 39.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.067 0.433 . . . . 0.0 110.544 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.539 HG11 HD13 ' B' ' 115' ' ' LEU . 9.9 p -111.18 148.67 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -147.65 106.31 3.81 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.26 148.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.286 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' B' ' 96' ' ' PHE . 16.3 mt-10 -121.13 125.58 47.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -176.45 -173.31 41.96 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.558 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 94' ' ' ARG . 38.4 mt -97.1 87.68 4.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.441 HD11 ' OE1' ' B' ' 95' ' ' GLN . 19.1 pt -73.51 124.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.672 0.748 . . . . 0.0 111.354 -177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . 0.444 ' HB2' ' HA2' ' B' ' 126' ' ' GLY . 18.8 t70 -83.4 -41.45 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.887 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -160.29 164.34 32.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.117 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . 94.1 mt -138.05 115.45 11.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 55.5 t -112.52 112.52 40.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.49 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.8 t80 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.726 0.298 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -80.25 113.92 18.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 HE22 ' HB ' ' B' ' 117' ' ' THR . 98.9 mt-30 -119.49 152.99 36.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 47.4 m-85 -98.43 113.77 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.349 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD12 ' B' ' 99' ' ' LEU . 57.4 tp -111.04 129.53 55.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 29.1 m -130.52 124.36 31.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.05 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -127.24 137.36 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.055 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -107.05 166.4 10.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.805 0.336 . . . . 0.0 110.684 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.38 0.71 79.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.499 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG21 HG12 ' A' ' 70' ' ' VAL . 49.1 t -68.38 116.56 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.828 0.347 . . . . 0.0 110.4 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 m -92.47 -30.04 15.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -163.5 143.38 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.44 114.01 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.187 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -72.22 -43.62 64.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -148.47 133.95 18.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -124.59 104.84 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.55 143.05 47.14 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.316 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -14.56 4.86 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 123.2 2.6 . . . . 0.0 114.534 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 80.2 mttt -125.06 -0.76 7.8 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -160.79 131.9 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.226 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.5 mt -136.18 127.33 43.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 -176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.47 100.75 10.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.25 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 70' ' ' VAL . 78.7 mt -94.9 128.52 41.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.376 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.15 110.1 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -125.21 149.17 48.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.242 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mt 44.3 -91.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.517 0.727 . . . . 0.0 112.626 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -141.46 20.42 2.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.838 0.351 . . . . 0.0 110.499 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 169.53 23.68 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.952 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.6 t -115.53 148.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD13 ' HD2' ' A' ' 81' ' ' TYR . 62.3 tp -125.1 118.57 26.43 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -98.63 119.36 37.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.951 0.405 . . . . 0.0 110.223 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 16.1 mm -102.12 110.13 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.953 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -108.38 138.01 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 111.241 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.68 -141.8 7.38 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 8.8 pt-20 -150.86 149.12 29.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 175.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.504 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 61.4 mttm 64.0 38.83 8.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.081 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 53' ' ' ILE . 7.4 mp -74.26 71.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.916 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.978 -171.418 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 113.07 -0.012 . . . . 0.0 113.07 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -153.88 157.7 39.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.695 -0.297 . . . . 0.0 110.486 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 44' ' ' LEU . 13.3 p -143.98 140.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.079 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -126.45 139.16 53.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.441 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 26' ' ' LEU . 15.4 m -142.95 139.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.184 0.302 . . . . 0.0 110.314 175.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -125.82 125.44 42.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 157.14 -157.23 27.89 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.825 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.51 92.89 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 pt -89.67 111.33 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.424 0.631 . . . . 0.0 109.87 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.8 -38.02 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.058 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.593 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -153.61 138.17 16.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.493 . . . . 0.0 111.447 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.561 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 25.9 mt -118.84 113.63 21.39 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 174.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.89 129.03 76.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 21.1 t80 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' B' ' 146' ' ' LEU . 6.0 t-20 . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -74.16 109.54 7.74 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 169.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.23 143.41 27.35 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.03 0.443 . . . . 0.0 110.51 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.58 112.7 25.87 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.906 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.648 ' HB3' HG22 ' B' ' 143' ' ' VAL . 54.6 tp -102.02 106.67 17.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.983 0.42 . . . . 0.0 110.003 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 46.4 t -107.79 118.1 35.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.827 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.502 HD12 HD13 ' A' ' 26' ' ' LEU . 8.6 tt -129.51 130.66 46.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.197 0.522 . . . . 0.0 110.029 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 24.8 m -108.12 105.62 15.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.745 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.23 34.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.135 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 48.2 t -102.0 131.15 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 14.3 t -91.98 -31.96 15.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.735 0.302 . . . . 0.0 110.726 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -172.01 164.12 6.17 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.75 124.87 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.818 0.342 . . . . 0.0 110.271 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 78.5 mt-30 -75.61 -52.25 10.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.891 0.377 . . . . 0.0 110.541 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.1 m -148.03 117.4 6.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -105.51 114.38 28.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -130.7 152.98 81.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.86 32.91 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.298 2.665 . . . . 0.0 113.61 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' B' ' 129' ' ' LEU . 16.1 ptpt -166.07 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.802 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 1.0 OUTLIER -137.47 119.72 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.9 mt -122.53 118.78 56.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -174.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.84 101.98 13.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 97.1 mt -92.65 133.59 35.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.37 178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.577 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 2.9 tm-20 -99.94 101.55 12.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 35.7 p -92.48 -166.14 1.48 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.64 90.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.569 0.223 . . . . 0.0 110.873 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.38 24.15 14.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.406 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.86 -178.86 17.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.27 144.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 52.1 tp -122.74 115.45 22.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.503 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 41.1 t -99.0 117.25 33.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.7 mt -109.64 110.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.666 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.802 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 51.3 mtmt -110.6 130.98 55.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.28 . . . . 0.0 111.136 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . -175.9 -149.32 7.39 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -130.44 134.76 47.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt 58.05 71.42 0.58 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.536 0.684 . . . . 0.0 110.746 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -101.33 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.381 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.605 177.005 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 CA-C-O 120.464 -0.076 . . . . 0.0 113.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.54 130.95 52.44 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.51 151.64 24.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 35.4 tt0 -139.29 122.43 16.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' B' ' 97' ' ' LEU . 26.8 m -102.69 147.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.364 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -128.95 125.01 36.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.129 -175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.92 -163.57 33.28 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 118.875 -1.631 . . . . 0.0 114.058 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' B' ' 93' ' ' ASN . 41.7 mt -94.44 73.98 3.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.365 -0.417 . . . . 0.0 110.715 -175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 37.3 pt -71.62 151.85 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.888 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -117.12 -48.96 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -144.67 147.47 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.16 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.565 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -116.11 137.99 51.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 52.0 t -135.55 115.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.318 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.593 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 1.3 t80 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 121.713 0.768 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -89.75 143.33 26.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.877 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.573 ' OE1' HD11 ' A' ' 76' ' ' ILE . 71.8 mt-30 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.72 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 75.5 m-85 -109.9 115.87 30.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.7 tp -112.06 106.9 15.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 16.1 m -105.17 113.73 27.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.713 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.5 tp -113.65 146.58 39.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.038 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.574 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 68.1 m -132.09 112.66 12.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.645 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.55 -11.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.71 129.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.942 0.401 . . . . 0.0 110.73 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 m -94.31 -35.96 12.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.825 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -163.99 151.27 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.609 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 44' ' ' LEU . 19.7 m -96.98 127.97 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.889 0.376 . . . . 0.0 110.432 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -87.65 -21.41 25.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 111.177 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -164.06 122.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -109.01 103.01 11.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 0.0 110.337 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 40' ' ' LYS . 7.2 m-20 -134.29 138.57 30.61 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.675 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 20.6 Cg_exo -67.52 12.26 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 174.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 40.9 ttmt -120.9 -25.04 5.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.111 0.481 . . . . 0.0 110.084 175.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 35.8 tt0 -164.54 114.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 -176.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.512 HG13 HD23 ' A' ' 58' ' ' LEU . 68.1 mt -111.25 123.76 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.11 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -98.23 105.94 18.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 34' ' ' VAL . 87.4 mt -97.58 109.2 22.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.11 102.44 11.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -125.15 149.1 48.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.537 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm 53.43 -88.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.622 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -143.9 12.89 1.66 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.151 0.501 . . . . 0.0 110.198 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.06 -171.05 12.4 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.084 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.81 126.82 67.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.731 0.301 . . . . 0.0 110.325 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.92 120.18 39.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.503 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.46 111.25 23.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.824 0.345 . . . . 0.0 110.655 -177.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -94.81 115.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -114.57 136.22 53.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.569 -174.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 166.11 -148.1 13.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.738 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -135.14 150.9 50.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 mttp 59.42 30.14 19.79 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.917 0.865 . . . . 0.0 109.826 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 42' ' ' ILE . 14.0 tp -75.8 73.74 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.528 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.856 -176.86 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 29' ' ' THR . 19.2 mt-30 -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -148.35 131.98 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -116.69 115.54 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.35 135.14 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.117 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.29 138.56 50.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 0.0 110.809 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.03 -159.78 30.63 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.071 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -91.68 89.0 6.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.573 HD11 ' OE1' ' A' ' 24' ' ' GLN . 27.0 pt -78.61 117.92 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.421 0.629 . . . . 0.0 109.985 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -84.66 -39.3 18.77 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.065 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.06 156.85 20.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.85 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.9 mt -115.92 120.46 39.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.7 t -116.56 129.28 73.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.834 0.349 . . . . 0.0 111.241 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.448 ' HB3' HD23 ' B' ' 146' ' ' LEU . 6.5 t30 . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' B' ' 146' ' ' LEU . 6.7 ptp85 -93.95 157.04 16.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.79 148.53 51.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.981 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 87.2 m-85 -97.22 112.94 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.9 tp -106.96 117.99 35.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 12.9 m -112.72 111.09 21.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.598 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 39.4 tp -112.37 126.31 55.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 20.0 m -120.37 126.48 50.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.4 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.46 13.91 5.07 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.622 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 68.4 t -80.72 136.84 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.831 0.348 . . . . 0.0 110.204 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.0 p -92.57 -34.16 14.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.29 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -166.23 154.08 10.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.303 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.422 HG23 HD23 ' B' ' 115' ' ' LEU . 7.2 p -99.12 134.97 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.83 -59.11 2.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.437 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t -142.03 136.44 30.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.802 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -117.01 104.99 11.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.025 0.44 . . . . 0.0 111.036 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 5.0 m-20 -128.01 137.32 30.55 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.475 173.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 35.4 Cg_exo -63.7 -1.92 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.933 2.422 . . . . 0.0 112.947 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.12 -21.34 12.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 111.054 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.687 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.5 tt0 -166.63 115.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 110.513 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' B' ' 129' ' ' LEU . 61.1 mt -100.99 125.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.055 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -101.21 100.61 11.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.281 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.422 HD23 HG23 ' B' ' 105' ' ' VAL . 96.1 mt -100.67 131.94 46.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.122 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -94.73 126.99 40.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.039 0.447 . . . . 0.0 109.802 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 30.1 p -105.44 -175.19 2.72 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.43 ' H ' HG13 ' B' ' 118' ' ' ILE . 46.4 mt -31.5 -63.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 124.558 1.161 . . . . 0.0 112.26 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -138.77 32.8 2.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.402 . . . . 0.0 110.363 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.12 -176.72 22.64 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.291 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.47 138.86 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' B' ' 152' ' ' TYR . 54.8 tp -114.74 118.63 34.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 17.6 m -96.59 110.43 22.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.91 0.386 . . . . 0.0 110.344 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.687 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -89.27 109.88 20.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -100.87 140.23 35.45 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 166.33 -147.63 12.4 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.06 146.92 27.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.664 0.269 . . . . 0.0 110.421 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 tttm 59.48 38.03 22.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.833 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.424 ' HA ' ' HA3' ' B' ' 145' ' ' GLY . 9.9 mp -75.52 72.19 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.467 174.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.028 -175.568 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.471 ' HB2' HG23 ' B' ' 100' ' ' THR . 8.2 tt0 -140.74 118.62 11.79 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.31 143.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . 0.448 ' HG2' ' OG ' ' B' ' 98' ' ' SER . 43.9 mt-10 -108.49 118.43 36.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.795 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.11 146.76 31.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.11 132.12 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.481 0.658 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 129' ' ' LEU . . . -168.81 166.58 39.76 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.741 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.591 ' HA ' ' HA ' ' B' ' 94' ' ' ARG . 6.5 mp -84.0 83.75 7.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.648 HD12 HD21 ' B' ' 150' ' ' LEU . 17.7 pt -76.7 132.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.606 0.717 . . . . 0.0 111.491 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -89.12 -51.04 5.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.13 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -149.44 153.74 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.934 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.648 HD21 HD12 ' B' ' 147' ' ' ILE . 4.6 mm? -114.96 113.61 24.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.51 112.59 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.021 0.438 . . . . 0.0 110.923 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 25.8 t80 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' HB2' HD22 ' A' ' 75' ' ' LEU . 29.8 m-80 . . . . . 0 N--CA 1.465 0.313 0 CA-C-O 120.944 0.402 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 75' ' ' LEU . 63.6 mtt85 -75.01 99.75 3.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 74.0 mt-30 -108.08 152.38 24.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.743 -177.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.71 112.24 25.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 60.9 tp -107.57 114.58 28.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.895 0.379 . . . . 0.0 110.501 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 8.5 t -119.46 115.88 24.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD13 HD13 ' B' ' 97' ' ' LEU . 30.5 tp -133.19 132.27 41.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.662 -177.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.5 p -94.11 179.1 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.539 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.37 37.19 59.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.347 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -99.53 130.87 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 110.068 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -95.16 -46.42 6.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.242 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.59 150.47 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 111.115 -176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.07 111.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -49.36 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 0.0 111.222 -175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 t -124.39 118.95 27.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.172 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 10.6 m-20 -134.62 150.01 72.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.922 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.93 -3.35 13.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.201 1.934 . . . . 0.0 112.015 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 3.8 mmmp? -117.86 -25.78 6.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.925 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 80.6 tt0 -158.92 114.47 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.818 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.83 128.97 65.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.06 108.43 19.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' VAL . 93.6 mt -97.21 125.2 41.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.81 112.67 17.32 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.5 p -106.16 178.24 4.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.849 -0.159 . . . . 0.0 110.615 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -38.46 -53.31 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 0.0 112.943 -173.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -139.83 36.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.25 -165.41 28.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.777 -1.201 . . . . 0.0 112.932 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.81 126.03 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 44' ' ' LEU . 57.1 tp -96.58 117.79 31.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.787 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.7 m -98.85 109.43 22.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 mt -99.32 114.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -104.14 149.09 25.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.02 24.46 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 12.2 pt-20 -145.64 150.38 36.22 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.671 -0.311 . . . . 0.0 110.726 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 62.6 mttm 53.03 52.89 12.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.93 -172.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.58 73.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.381 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.345 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.07 160.8 38.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 44' ' ' LEU . 11.4 p -111.14 134.43 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 0.0 110.381 177.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -131.4 106.71 8.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 26.9 m -130.34 146.65 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -137.42 131.84 32.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 172.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 166.9 -168.83 40.51 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.97 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 22' ' ' ASN . 73.9 mt -85.86 85.91 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.8 pt -81.03 144.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -104.94 -52.62 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.533 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.6 153.39 28.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 85.6 mt -116.15 135.75 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.1 t -122.24 122.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.765 0.316 . . . . 0.0 110.55 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.034 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.704 HD22 HD21 ' B' ' 146' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -83.03 136.25 34.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.087 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.03 137.56 48.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.525 173.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -102.27 126.54 49.3 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 57.9 tp -116.82 113.27 22.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.07 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 48.2 t -109.35 124.55 51.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.655 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 26' ' ' LEU . 28.4 tp -134.11 158.62 43.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.311 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.485 HG22 ' HG2' ' B' ' 140' ' ' GLN . 70.1 p -127.28 155.22 43.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.488 ' HA3' HD11 ' B' ' 118' ' ' ILE . . . 94.57 17.08 40.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.184 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.77 113.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 m -84.86 -24.68 28.44 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.205 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -175.26 148.38 0.96 Allowed 'General case' 0 C--O 1.227 -0.083 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.869 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.99 106.94 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.523 HE21 ' HB2' ' B' ' 116' ' ' GLU . 68.8 mt-30 -76.59 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.348 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.3 t -129.47 125.32 36.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -113.95 105.61 13.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.89 0.376 . . . . 0.0 111.053 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -132.45 139.13 33.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -59.01 -10.76 10.71 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.969 2.446 . . . . 0.0 113.975 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -108.98 -21.88 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.183 -0.323 . . . . 0.0 111.808 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 42.2 tt0 -153.96 112.39 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 111.347 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.62 128.89 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.063 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.67 104.61 15.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.445 HD13 HG11 ' B' ' 141' ' ' VAL . 95.3 mt -97.94 115.21 27.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.921 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.523 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -75.76 114.87 14.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 16.0 p -119.06 -171.98 2.21 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.357 0.599 . . . . 0.0 111.324 -173.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' B' ' 119' ' ' GLN . 16.0 mt -61.72 118.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.697 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 118' ' ' ILE . 6.5 pt20 63.07 3.3 1.23 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.918 1.287 . . . . 0.0 113.324 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.07 -165.47 22.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.334 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.76 122.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.17 119.34 34.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.116 0.484 . . . . 0.0 109.969 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.763 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.9 m -98.15 117.58 32.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 12.3 mm -101.7 117.98 47.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.451 ' HG2' ' HG3' ' B' ' 112' ' ' GLU . 27.6 mtpp -123.16 144.12 49.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.647 0.26 . . . . 0.0 111.187 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.412 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 165.02 -139.43 5.82 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.184 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.63 134.68 39.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.675 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 36.2 ttmt 49.46 79.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.852 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.42 72.99 8.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.181 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-N 114.851 -1.068 . . . . 0.0 114.309 -171.166 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' B' ' 100' ' ' THR . 22.1 mt-30 -122.73 159.66 27.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.445 HG11 HD13 ' B' ' 115' ' ' LEU . 9.5 p -146.77 133.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 44.3 tt0 -130.12 113.93 15.11 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.6 m -113.79 154.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.2 125.64 33.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . 0.675 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 163.36 -154.23 25.06 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.425 -1.369 . . . . 0.0 113.463 176.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.704 HD21 HD22 ' B' ' 93' ' ' ASN . 37.3 mt -101.86 86.5 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.318 -0.441 . . . . 0.0 110.142 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.96 133.59 29.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.365 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . 0.412 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 37.3 m-20 -104.37 -46.79 4.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -139.38 139.16 37.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.527 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.488 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 76.9 mt -115.66 113.18 23.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 49.0 t -109.6 118.81 57.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 -173.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' HA ' HD13 ' B' ' 118' ' ' ILE . 8.1 p30 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.554 0.216 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HA ' HD23 ' A' ' 75' ' ' LEU . 11.5 ptp180 -85.87 133.18 33.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.58 0.705 . . . . 0.0 110.121 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.64 142.7 40.41 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.029 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 43.9 m-85 -97.25 127.44 43.22 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -118.65 116.98 27.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 4.7 m -115.01 110.68 19.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 HD22 ' A' ' 51' ' ' LEU . 29.3 tp -112.82 126.17 55.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.532 HG23 ' HG2' ' A' ' 69' ' ' GLN . 26.9 m -106.77 130.88 54.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 177.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.77 22.66 3.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.968 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 43.7 t -88.88 111.38 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -79.5 -33.7 41.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -155.05 142.87 19.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.564 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.46 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 173.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -72.89 -49.54 29.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.512 . . . . 0.0 110.684 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 m -152.03 142.57 22.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -123.5 105.37 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -123.73 150.71 62.63 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -15.31 36.53 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.989 2.459 . . . . 0.0 112.981 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -103.27 -30.36 10.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 37.7 tt0 -149.11 130.65 14.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -170.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.1 mt -119.67 128.17 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.911 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.15 114.97 29.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.409 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 HD23 ' A' ' 51' ' ' LEU . 86.2 mt -109.52 118.19 35.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.248 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.93 106.99 18.17 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 31' ' ' VAL . 72.6 p -109.11 175.7 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.56 -171.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -32.38 -61.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.448 1.092 . . . . 0.0 113.001 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -140.41 60.69 1.53 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.534 0.683 . . . . 0.0 109.915 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.69 175.58 36.33 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.806 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.42 141.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 44' ' ' LEU . 61.0 tp -108.75 124.53 50.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -107.33 102.77 12.04 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 35.1 mt -89.79 112.71 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG2' ' OE2' ' A' ' 41' ' ' GLU . 54.5 mttm -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.19 0.306 . . . . 0.0 110.442 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.21 -149.64 19.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.675 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.73 138.58 54.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.808 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 16.3 tppt? 62.88 88.31 0.1 Allowed 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 110.471 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.87 71.26 0.88 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.257 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.533 -171.774 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.449 -0.435 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HG2' HG23 ' A' ' 29' ' ' THR . 53.8 mt-30 -117.89 110.67 18.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.947 0.403 . . . . 0.0 110.26 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG21 HD22 ' A' ' 44' ' ' LEU . 98.5 t -108.14 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.667 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.54 105.96 9.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -121.09 163.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.009 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.91 142.66 51.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.906 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.808 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 161.26 -162.35 33.69 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.268 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ARG . 23.9 mt -103.74 87.93 2.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.793 0.33 . . . . 0.0 110.118 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.84 132.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.29 0.566 . . . . 0.0 111.042 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.92 -52.82 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.997 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.12 143.22 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.967 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 85.0 mt -119.85 117.96 29.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.516 176.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.98 133.09 66.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.53 93.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.693 0.759 . . . . 0.0 109.209 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -90.05 157.09 17.96 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.494 -171.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -105.97 113.4 26.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.475 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -115.1 116.97 29.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.362 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 22.9 t -117.84 126.5 52.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.978 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 125.52 46.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.592 HG23 ' HG2' ' B' ' 140' ' ' GLN . 15.5 m -108.21 100.73 10.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.02 53.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.35 138.86 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 26.4 t -88.18 -55.4 3.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -144.68 148.09 33.82 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.275 -0.265 . . . . 0.0 110.614 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.6 126.59 51.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -95.78 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.031 0.443 . . . . 0.0 110.873 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' B' ' 114' ' ' LEU . 38.8 t -115.15 123.57 49.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -124.62 102.73 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.352 0.596 . . . . 0.0 111.524 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' B' ' 111' ' ' LYS . 17.1 t70 -134.62 145.47 55.1 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.72 11.04 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.241 1.961 . . . . 0.0 113.471 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.796 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 36.5 mtmm -129.21 -14.15 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.053 -0.404 . . . . 0.0 111.495 173.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.1 tt0 -152.31 113.08 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.05 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.9 mt -120.76 117.47 53.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.361 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.479 ' HB2' ' H ' ' B' ' 107' ' ' SER . 90.4 mt -97.79 96.76 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.482 HD13 HG11 ' B' ' 141' ' ' VAL . 83.3 mt -93.54 110.95 22.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.247 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -77.63 111.2 13.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.3 0.572 . . . . 0.0 109.644 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -87.77 178.61 6.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.717 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ASN . 57.7 mt -51.67 -36.69 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.41 -174.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -134.76 19.45 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.12 -155.54 10.3 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 119.571 -1.299 . . . . 0.0 112.994 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.13 139.32 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -114.24 119.6 37.57 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.893 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.9 t -96.81 111.45 23.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 0.0 110.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 4.5 mm -90.39 116.1 31.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -106.79 145.36 32.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.56 -145.59 11.08 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.147 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.796 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 9.4 pt-20 -149.26 149.99 31.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 66.14 23.09 11.02 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.356 0.41 . . . . 0.0 111.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.0 73.66 0.28 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.383 0.673 . . . . 0.0 112.218 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.681 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.208 0 CA-C-O 121.041 0.245 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.592 ' HG2' HG23 ' B' ' 100' ' ' THR . 78.6 mt-30 -107.49 110.1 21.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.482 HG11 HD13 ' B' ' 115' ' ' LEU . 13.6 p -106.54 143.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.366 0.603 . . . . 0.0 111.22 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -134.13 106.8 7.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.327 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 27.5 t -110.25 131.5 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.559 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -127.98 130.1 47.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.335 . . . . 0.0 110.101 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 163.31 -175.71 39.56 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.026 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.55 ' HB2' ' HG3' ' B' ' 127' ' ' GLU . 3.2 mm? -80.59 89.84 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.01 145.57 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.392 0.615 . . . . 0.0 110.773 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.59 -54.78 2.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.305 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -167.72 169.97 11.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.827 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.48 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 4.4 mm? -116.3 127.09 54.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.479 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 63.2 t -115.63 113.32 43.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.52 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' B' ' 118' ' ' ILE . 3.2 t30 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.778 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 27.2 mtp85 -77.22 117.61 18.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -107.4 149.64 27.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-30 -97.54 114.97 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' HG23 ' A' ' 72' ' ' VAL . 38.0 tp -109.84 111.68 23.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.98 0.419 . . . . 0.0 110.616 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.812 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 18.6 m -111.08 118.72 36.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.65 134.53 52.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -106.51 162.63 13.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.357 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.22 55.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.433 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.85 121.9 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -87.19 -44.89 11.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.431 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -160.07 147.88 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 -173.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -92.92 121.91 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -79.19 -45.48 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.572 . . . . 0.0 110.305 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 t -148.2 127.32 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.279 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -113.31 106.59 14.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.137 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -129.63 139.59 36.11 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.85 -24.27 13.24 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.309 2.673 . . . . 0.0 114.174 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 31.7 mtpt -105.69 -6.06 19.48 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -169.12 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.977 0.417 . . . . 0.0 111.288 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.9 mt -112.86 124.66 69.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -99.03 101.95 13.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.901 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.55 120.25 37.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.616 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.32 114.49 20.83 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 t -120.49 -163.52 1.02 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.142 -173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 47' ' ' ILE . 33.8 pt -57.73 108.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.499 0.666 . . . . 0.0 112.167 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 66.31 0.92 1.85 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.926 -1.033 . . . . 0.0 113.178 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.79 -173.41 30.41 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.307 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.83 140.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -110.8 126.42 54.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.312 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.2 t -96.2 107.75 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.434 HG22 HD21 ' A' ' 58' ' ' LEU . 60.0 mt -104.67 110.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.194 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 5.9 mtmp? -106.83 150.1 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 168.58 -161.15 34.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.732 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -117.96 133.67 55.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.993 0.117 . . . . 0.0 111.017 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.6 64.44 1.82 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.965 0.791 . . . . 0.0 112.436 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 HG22 ' A' ' 53' ' ' ILE . 10.1 mp -88.96 73.38 8.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.959 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.953 -177.524 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -92.67 124.07 36.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.443 0.297 . . . . 0.0 110.511 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.09 123.64 64.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -109.06 122.73 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.247 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 26' ' ' LEU . 16.3 m -123.91 132.14 71.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.907 0.384 . . . . 0.0 110.067 175.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 38.3 tt0 -115.05 125.63 53.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.2 -170.3 42.39 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.864 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.778 ' HG ' ' HG2' ' A' ' 23' ' ' ARG . 2.8 mp -105.4 90.15 3.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.0 pt -66.8 142.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.757 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.16 -48.97 4.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.321 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.501 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -160.97 146.1 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.82 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 88.7 mt -116.38 119.42 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.41 118.28 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.934 0.397 . . . . 0.0 110.762 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASN . . . . . 0.487 ' CG ' HD23 ' B' ' 146' ' ' LEU . 11.5 t-20 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.551 ' HG2' ' HG ' ' B' ' 146' ' ' LEU . 66.1 mtp180 69.67 113.26 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.987 -177.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -116.53 149.34 39.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -102.41 113.22 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.228 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 51.3 tp -99.12 107.46 19.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.812 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 16.3 t -110.36 120.57 42.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 42.7 tp -139.55 139.89 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.422 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.7 p -106.01 167.72 9.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.075 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.76 20.79 42.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.814 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 52.0 t -86.91 129.44 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 13.1 p -106.17 -18.34 14.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.843 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -171.99 148.87 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.297 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.9 t -91.16 109.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' B' ' 116' ' ' GLU . 11.0 mm100 -71.47 -54.83 9.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.471 . . . . 0.0 110.893 -175.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -149.8 146.59 27.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.899 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -129.74 106.76 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.258 0.552 . . . . 0.0 111.082 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -132.43 140.58 38.35 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.67 -8.96 4.76 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.909 2.406 . . . . 0.0 114.065 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 63.0 mttp -114.15 -17.23 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.541 0.21 . . . . 0.0 111.56 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.522 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . 35.6 tt0 -153.1 116.58 4.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.252 0.549 . . . . 0.0 111.447 -175.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.5 mt -115.88 129.79 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 85.6 mt -114.84 123.26 48.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.17 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.501 HD13 HG11 ' B' ' 141' ' ' VAL . 85.8 mt -121.62 127.66 51.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' B' ' 106' ' ' GLN . 29.6 tt0 -81.38 131.23 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.7 p -122.34 -178.88 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.374 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 22' ' ' ASN . 41.0 mt -38.07 -53.48 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 124.133 0.973 . . . . 0.0 113.487 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.12 19.5 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.26 -152.65 8.94 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.498 -1.334 . . . . 0.0 113.254 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.67 152.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -116.49 136.27 53.13 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.404 ' HA ' HD23 ' B' ' 114' ' ' LEU . 33.6 t -114.6 118.14 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.992 0.425 . . . . 0.0 110.233 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.34 120.71 59.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 112' ' ' GLU . 13.8 mmmm -116.63 136.17 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.997 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 167.1 -149.17 14.34 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.28 152.11 44.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.625 0.25 . . . . 0.0 110.891 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 48.0 tttm 64.14 28.21 14.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.356 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LEU . . . . . 0.404 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.7 mp -72.23 72.97 0.94 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.09 178.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.741 -177.021 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 112.746 -0.141 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.74 137.05 52.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 111.038 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' VAL . . . . . 0.501 HG11 HD13 ' B' ' 115' ' ' LEU . 11.4 p -126.33 148.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.209 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 41.7 tt0 -146.77 111.14 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.29 156.19 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -120.65 141.1 50.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.06 172.08 36.18 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.135 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . 0.551 ' HG ' ' HG2' ' B' ' 94' ' ' ARG . 4.2 mp -92.95 89.25 6.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 19.0 pt -82.67 134.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.241 -175.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.93 -20.8 17.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.596 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -158.76 138.62 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.155 0.502 . . . . 0.0 111.586 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 82.8 mt -115.95 114.29 24.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 55.0 t -120.06 117.41 53.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.172 0.51 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.428 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 1.6 t80 . . . . . 0 C--N 1.317 -0.84 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.8 0.333 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 23' ' ' ARG . 32.1 t70 -81.35 -32.22 33.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB3' HD23 ' A' ' 75' ' ' LEU . 4.0 t30 73.68 -7.37 1.59 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.7 0.8 . . . . 0.0 111.666 173.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' HD3' ' HD3' ' A' ' 57' ' ' LYS . 68.9 mtm180 -78.4 129.63 35.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.427 . . . . 0.0 110.565 173.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -113.39 145.71 40.69 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 93.0 m-85 -97.83 118.33 34.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 tp -114.3 116.26 28.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.927 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.598 ' OG ' ' HB3' ' B' ' 98' ' ' SER . 4.7 p -119.9 132.46 55.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.686 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -133.35 134.37 43.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.766 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -103.16 154.86 18.87 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.81 24.2 21.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.08 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.52 106.58 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -81.01 -38.83 26.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.795 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 56.0 tttm -146.82 150.2 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.462 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.23 139.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 13.2 mm-40 -94.46 -58.9 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.876 0.37 . . . . 0.0 110.348 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 t -143.82 140.3 29.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.479 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -121.41 105.28 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.819 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 14.3 t70 -133.22 136.87 28.09 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.8 Cg_exo -65.05 13.0 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 123.125 2.55 . . . . 0.0 113.771 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 19.7 ttmm -129.91 -15.24 3.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.653 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -155.63 111.55 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 110.77 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 58' ' ' LEU . 45.0 mm -105.59 127.99 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.266 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.41 114.32 24.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.215 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.14 135.56 54.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.874 0.368 . . . . 0.0 110.981 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 8.7 tm-20 -92.33 105.34 17.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 t -125.67 -170.53 2.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' B' ' 93' ' ' ASN . 68.3 mt -51.22 -56.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -88.12 -4.34 58.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -172.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.17 -151.16 23.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.419 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -98.59 125.71 51.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -94.99 118.22 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.441 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.872 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 15.0 m -98.65 106.09 18.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 53.0 mt -95.31 118.68 42.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.516 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -116.6 139.63 50.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.496 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 170.99 -149.89 13.07 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.21 176.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 11.9 tp10 -124.66 134.75 52.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HD3' ' HD3' ' A' ' 23' ' ' ARG . 47.9 tttm 57.2 61.31 2.59 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.589 0.555 . . . . 0.0 110.892 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 42' ' ' ILE . 7.9 mp -89.14 73.16 8.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.359 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.73 149.72 19.39 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.404 ' HB ' ' OD2' ' A' ' 64' ' ' ASP . 12.1 pt -81.33 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.806 0.336 . . . . 0.0 110.572 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -74.99 -32.64 61.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.793 -171.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -150.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.57 -174.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.31 84.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' OD2' ' HB ' ' A' ' 60' ' ' ILE . 7.4 m-20 -91.06 -178.87 5.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.491 -173.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 76.08 -42.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.079 0.862 . . . . 0.0 109.561 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -59.86 144.45 48.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 174.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 69.53 -0.92 2.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.351 0.66 . . . . 0.0 111.788 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.21 23.23 61.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.722 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.73 136.97 53.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.791 -0.241 . . . . 0.0 110.385 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.21 121.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.097 0.475 . . . . 0.0 110.934 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 50.7 mt-10 -111.19 123.0 49.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.472 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.54 144.51 30.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.966 0.412 . . . . 0.0 110.852 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -120.54 144.92 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.714 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.29 -179.89 35.51 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.648 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.552 HD23 ' HB3' ' A' ' 22' ' ' ASN . 3.4 mp -92.2 85.13 5.36 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 ' HE2' ' B' ' 152' ' ' TYR . 6.1 pt -68.9 141.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.123 -174.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.58 -48.51 4.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.152 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -161.71 163.31 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.374 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' HD2' ' B' ' 152' ' ' TYR . 86.3 mt -125.48 133.55 52.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.872 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.2 t -114.82 111.84 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.941 0.401 . . . . 0.0 110.274 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.5 OUTLIER -130.3 109.39 16.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.1 138.38 47.28 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.612 2.208 . . . . 0.0 112.406 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.2 mt -77.46 42.71 0.36 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' CB ' ' H ' ' A' ' 86' ' ' HIS . 31.1 mt-10 54.75 -164.78 0.11 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 110.544 -172.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -108.7 10.43 26.85 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 162.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.447 ' H ' ' CB ' ' A' ' 84' ' ' GLU . 22.5 t-160 -91.7 76.44 5.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.149 -1.841 . . . . 0.0 110.274 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.7 m80 55.35 -127.07 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.268 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 68.6 -45.72 0.53 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.408 0.683 . . . . 0.0 112.633 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.11 101.83 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.794 0.331 . . . . 0.0 111.229 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.8 t60 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.641 177.478 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 121.282 0.563 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.51 165.27 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.414 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.55 ' HA ' HD13 ' A' ' 47' ' ' ILE . 17.7 p30 -93.97 -19.96 20.43 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -83.26 135.43 34.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.943 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -113.68 142.84 45.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.171 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -103.25 112.89 25.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 43.2 tp -105.0 120.67 42.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.598 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 22.7 t -121.65 122.68 40.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.733 176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 22.4 tp -134.65 136.28 42.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.158 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HB3' ' B' ' 140' ' ' GLN . 74.5 p -98.9 171.82 7.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.17 11.54 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.9 117.66 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -114.01 -28.57 7.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.533 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.585 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 61.6 tttm -148.45 129.9 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.02 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.95 114.8 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -102.08 -17.74 15.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.827 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.535 ' HB3' ' HB2' ' B' ' 114' ' ' LEU . 39.3 t -164.9 136.19 4.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' B' ' 132' ' ' LYS . 79.0 t80 -140.25 104.0 4.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.21 0.529 . . . . 0.0 110.637 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -133.39 143.01 46.27 Favored Pre-proline 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.67 0.81 0.67 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.345 2.03 . . . . 0.0 113.753 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 39.7 mtpt -123.1 -9.84 8.16 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 0.6 OUTLIER -164.43 121.84 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.409 HG22 ' HG ' ' B' ' 115' ' ' LEU . 63.3 mt -127.44 127.73 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 -176.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 107' ' ' SER . 91.4 mt -109.36 106.44 16.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.474 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 113' ' ' ILE . 91.2 mt -110.51 123.18 49.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 1.7 tm-20 -85.84 109.65 18.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.7 p -109.64 -178.41 3.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.045 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 12.8 mt -38.29 -57.54 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -170.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.52 14.64 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.9 170.86 44.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.164 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' B' ' 153' ' ' PRO . 54.2 t -105.91 126.18 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' B' ' 152' ' ' TYR . 56.6 tp -95.63 128.72 42.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.648 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.662 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 23.0 t -105.52 110.48 22.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.245 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.6 mt -102.16 110.4 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 89.2 mttt -112.91 144.53 42.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.654 0.264 . . . . 0.0 110.984 -173.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.46 -138.5 5.31 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.578 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 8.4 pt-20 -155.45 148.84 24.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.941 0.4 . . . . 0.0 111.283 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 59.01 40.08 22.69 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.702 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.427 HD21 HG22 ' B' ' 124' ' ' ILE . 9.8 mp -77.88 73.36 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' B' ' 131' ' ' ILE . . . -87.22 170.58 41.24 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.972 -176.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' B' ' 130' ' ' GLY . 41.9 mm 75.49 130.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.507 0.67 . . . . 0.0 111.478 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' B' ' 108' ' ' PHE . 75.9 tttt -146.79 142.86 28.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.147 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -79.68 108.25 13.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.88 -29.19 58.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.249 0.547 . . . . 0.0 109.982 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -115.45 123.49 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.185 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.407 ' HB3' ' HA2' ' B' ' 139' ' ' GLY . 95.7 mt -77.19 73.73 3.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.187 0.518 . . . . 0.0 110.405 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -65.93 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.951 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.0 13.87 32.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' B' ' 136' ' ' LEU . . . 65.81 36.49 92.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.89 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' B' ' 100' ' ' THR . 4.0 pt20 -123.47 152.1 42.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 0.0 110.937 -176.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -114.26 140.8 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.827 176.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.36 110.24 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.89 156.57 28.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -129.93 134.57 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.23 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 159.88 -161.22 32.2 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.105 -1.045 . . . . 0.0 112.587 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.93 86.94 3.59 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.463 HD12 HD21 ' B' ' 150' ' ' LEU . 17.5 pt -82.97 118.82 31.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 110.29 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.09 -35.88 12.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.287 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -148.27 140.24 23.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.322 0.582 . . . . 0.0 112.157 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.463 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -115.94 114.77 25.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.142 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.662 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 46.0 t -116.64 116.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 0.0 111.954 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.706 ' HE2' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -103.52 153.5 38.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.538 ' HD3' ' HD1' ' B' ' 152' ' ' TYR . 13.1 Cg_exo -68.52 135.56 33.91 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.219 1.946 . . . . 0.0 112.037 -178.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.86 149.75 49.69 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.26 140.88 9.26 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 123.359 0.412 . . . . 0.0 110.197 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -57.29 89.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.423 0.452 . . . . 0.0 111.4 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 51.6 m80 51.23 -111.09 0.52 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.159 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . 0.429 ' C ' ' H ' ' B' ' 160' ' ' HIS . 43.6 t-80 54.15 -100.21 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.235 0.334 . . . . 0.0 111.825 174.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' B' ' 160' ' ' HIS . 51.4 m-70 67.29 -32.93 0.2 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' B' ' 159' ' ' HIS . 74.8 t60 73.28 8.02 5.24 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.57 0.7 . . . . 0.0 109.557 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 44.1 t60 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.423 -0.798 . . . . 0.0 109.789 -179.3 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 ttm . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -150.38 140.95 22.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.116 0.484 . . . . 0.0 111.23 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.591 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -139.36 0.52 1.89 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.547 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.73 111.55 10.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.519 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 94.1 mt-30 -99.69 141.64 32.22 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.737 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 99' ' ' LEU . 26.9 m-85 -99.5 111.46 23.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 99' ' ' LEU . 53.6 tp -108.17 116.81 32.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 2.3 p -125.28 131.3 53.1 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' B' ' 96' ' ' PHE . 35.5 tp -136.78 153.52 50.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.697 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLY . 49.4 p -111.61 174.93 5.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.489 176.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.42 22.16 76.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.795 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 70' ' ' VAL . 57.1 t -81.74 130.94 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.4 m -90.12 -55.56 3.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -165.5 165.25 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.539 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -97.98 138.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -88.68 -48.74 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.73 0.3 . . . . 0.0 110.656 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 p -134.6 118.37 17.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.449 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -96.04 102.49 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 0.0 110.345 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.6 m-20 -134.33 136.38 25.78 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.082 173.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 12.5 Cg_exo -70.95 17.02 0.27 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.991 2.461 . . . . 0.0 113.223 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -135.32 -31.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.656 0.265 . . . . 0.0 110.862 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 39.7 tt0 -146.73 108.68 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.793 HD13 HD11 ' A' ' 60' ' ' ILE . 68.2 mt -107.63 128.69 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.548 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.23 101.78 11.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.926 0.393 . . . . 0.0 110.167 176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.12 123.18 36.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.436 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -91.83 125.05 36.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 0.0 109.786 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -123.81 -163.35 1.13 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.868 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.8 93.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 122.762 0.425 . . . . 0.0 111.6 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 65.0 17.34 11.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.558 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA3' ' OH ' ' A' ' 81' ' ' TYR . . . -149.43 172.62 29.42 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.5 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -132.73 129.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.681 0.276 . . . . 0.0 110.363 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.3 tp -105.22 122.44 45.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.748 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.9 m -97.87 114.79 26.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.707 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.0 mm -101.46 115.86 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.433 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 46.1 tttp -123.32 134.87 54.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.06 -152.72 20.71 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.124 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -117.99 134.98 54.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.722 0.296 . . . . 0.0 111.018 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.44 63.77 1.77 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -84.71 73.33 10.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.777 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.6 149.72 47.12 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.382 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.793 HD11 HD13 ' A' ' 42' ' ' ILE . 63.4 mt -122.41 135.3 62.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 122.533 -0.393 . . . . 0.0 111.184 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 71' ' ' GLU . 10.9 tppt? -72.53 116.09 12.58 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 171.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -88.21 101.8 14.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.505 0.669 . . . . 0.0 111.449 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.5 pt? -133.03 -176.38 4.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.778 171.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.13 147.64 27.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.27 0.557 . . . . 0.0 111.265 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -92.81 1.84 57.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.898 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.28 -45.04 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.13 96.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.634 171.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' THR . . . 102.76 -5.85 51.39 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.584 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -86.95 127.89 35.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.477 HG12 HG21 ' A' ' 31' ' ' VAL . 12.0 p -130.53 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' SER . 37.4 mt-10 -125.87 122.03 34.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.591 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.1 t -107.4 126.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.37 124.49 51.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.18 -173.59 44.2 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 118.82 -1.657 . . . . 0.0 113.669 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 22' ' ' ASN . 16.3 mt -91.29 67.79 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.595 HD12 HD21 ' A' ' 79' ' ' LEU . 22.1 pt -70.43 142.07 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.305 0.574 . . . . 0.0 110.977 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -118.4 -39.93 2.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -134.48 135.1 42.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.065 0.459 . . . . 0.0 111.463 -177.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 76' ' ' ILE . 4.4 mm? -116.17 124.78 51.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.538 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.748 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 46.4 t -126.58 133.96 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.803 0.335 . . . . 0.0 111.382 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 5.4 t80 -136.57 111.17 9.7 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.45 150.81 41.61 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.618 2.212 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.75 137.15 57.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -72.92 167.46 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.553 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -144.04 54.57 1.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.19 0.519 . . . . 0.0 110.065 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -78.22 158.75 28.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.549 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -162.68 -67.9 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -152.72 135.36 15.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -57.09 -39.85 75.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.372 0.606 . . . . 0.0 110.294 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.514 172.63 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' B' ' 93' ' ' ASN . 1.3 p30 -112.38 -99.3 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.333 173.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.655 ' HB2' ' O ' ' B' ' 92' ' ' ASP . 2.7 t30 157.65 -23.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.47 1.108 . . . . 0.0 109.095 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -80.0 117.74 21.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -99.69 159.74 14.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.953 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 84.7 m-85 -98.02 112.53 24.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.337 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.3 tp -108.56 106.69 16.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.91 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.59 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 0.4 OUTLIER -120.0 122.98 42.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.691 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.56 HD13 HD13 ' A' ' 26' ' ' LEU . 14.1 tp -134.54 138.32 44.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.613 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 71.4 p -100.95 174.92 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 24' ' ' GLN . . . 84.57 16.08 66.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.819 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.451 HG11 HD22 ' B' ' 115' ' ' LEU . 67.6 t -92.02 121.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 20.0 m -93.74 -39.14 10.92 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.732 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -159.46 145.33 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.64 0.257 . . . . 0.0 110.641 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.29 107.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.36 -55.25 9.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.183 0.516 . . . . 0.0 110.498 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 37.2 t -132.7 123.88 27.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.826 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -113.8 106.47 14.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.033 0.444 . . . . 0.0 111.302 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -133.04 139.79 35.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -53.79 -14.62 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.973 2.448 . . . . 0.0 114.26 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -109.29 -5.56 15.84 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.099 -0.376 . . . . 0.0 111.839 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.537 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 32.6 tt0 -171.12 123.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.952 0.406 . . . . 0.0 111.266 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.28 127.34 75.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.036 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.17 107.06 19.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.419 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.451 HD22 HG11 ' B' ' 102' ' ' VAL . 85.6 mt -100.18 111.18 23.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.731 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.13 122.5 25.7 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.6 p -113.89 178.53 4.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.32 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.53 -46.99 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.08 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.82 30.88 2.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.442 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . 0.665 ' HA3' ' HE1' ' B' ' 152' ' ' TYR . . . -174.92 -167.65 34.49 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.745 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 66.3 t -135.58 120.75 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.0 tp -96.99 118.91 34.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.01 0.433 . . . . 0.0 110.173 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.655 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 43.5 t -94.73 111.19 22.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.343 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 9.2 mm -91.81 110.18 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.467 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 65.1 mttm -108.67 142.2 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 166.33 -139.38 5.73 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.015 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -148.11 139.07 23.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 58.66 49.4 10.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.916 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.14 71.88 1.17 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.128 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.83 109.4 2.96 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.933 -0.576 . . . . 0.0 113.579 -172.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 12.4 tt -114.0 145.07 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -83.27 118.69 23.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -71.18 115.26 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.753 -177.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 47.9 tp -151.19 -66.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.438 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -159.52 -168.21 2.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 25.2 tp -90.22 -2.91 58.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.227 0.536 . . . . 0.0 109.579 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 66.2 -77.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.864 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -160.2 27.9 0.17 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.22 31.2 26.07 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.004 -1.239 . . . . 0.0 110.004 -170.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -125.86 133.32 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.817 -0.691 . . . . 0.0 109.878 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' B' ' 98' ' ' SER . 14.4 p -107.51 141.86 21.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.184 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -124.97 106.69 10.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.65 120.26 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.91 124.16 51.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 162.03 -160.5 32.56 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.284 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.38 114.97 27.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.33 136.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -102.13 -51.7 3.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.109 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' ' 81' ' ' TYR . . . -154.42 153.36 31.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.236 0.541 . . . . 0.0 111.713 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.423 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 mm? -116.53 116.76 28.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.68 175.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 89.6 t -116.1 124.16 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.945 0.402 . . . . 0.0 110.82 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.665 ' HE1' ' HA3' ' B' ' 120' ' ' GLY . 0.8 OUTLIER -131.62 98.96 17.45 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.59 125.9 7.13 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.194 2.596 . . . . 0.0 112.493 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 9.0 mp -70.39 153.17 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.327 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -88.74 -40.58 13.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.136 0.493 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -82.5 104.21 12.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.375 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -167.93 -41.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 65.76 -72.72 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.194 0.597 . . . . 0.0 110.505 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -172.68 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -172.59 99.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.132 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.399 177.143 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -113.22 -131.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.731 0.301 . . . . 0.0 111.169 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HA ' HD12 ' B' ' 118' ' ' ILE . 6.2 p-10 -87.34 13.68 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 31.5 mtp-105 -93.24 104.1 16.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.5 173.32 8.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.329 0.585 . . . . 0.0 111.751 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.982 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 85.6 t80 -120.22 129.02 53.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.366 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 60.2 tp -129.08 133.37 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.22 -173.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 21.2 t -131.98 137.4 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.518 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -139.79 149.02 43.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.532 HG22 ' HB2' ' A' ' 69' ' ' GLN . 77.3 p -113.34 159.94 18.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.48 5.85 68.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.278 -0.486 . . . . 0.0 112.3 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.469 HG21 HG12 ' A' ' 70' ' ' VAL . 38.9 t -65.08 128.85 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.0 110.506 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -101.92 -48.67 4.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.695 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -150.64 147.18 27.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 111.266 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.6 t -89.58 108.53 19.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -67.4 -59.56 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.189 0.519 . . . . 0.0 110.64 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -130.11 130.12 44.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.235 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HZ ' HG21 ' A' ' 60' ' ' ILE . 89.3 t80 -117.51 104.38 11.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.069 0.462 . . . . 0.0 111.269 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.33 141.78 41.79 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -57.41 -13.4 13.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.847 2.365 . . . . 0.0 113.927 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -108.99 -12.19 14.89 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 40.2 tt0 -162.56 122.07 2.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.197 0.522 . . . . 0.0 111.069 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.98 129.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.304 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 52' ' ' SER . 77.7 mt -99.1 105.83 17.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.967 176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.41 107.94 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.655 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 1.5 tm-20 -84.48 110.59 18.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -115.73 145.66 42.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.708 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt 45.51 -81.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 123.833 0.708 . . . . 0.0 112.79 -170.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -151.22 23.88 0.73 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.646 0.736 . . . . 0.0 109.545 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.49 141.16 11.45 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.001 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 22.2 t -94.72 122.14 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 111.106 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 80' ' ' VAL . 57.4 tp -96.37 131.37 42.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.862 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HD23 ' A' ' 43' ' ' LEU . 32.7 t -99.51 112.14 24.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.084 0.468 . . . . 0.0 110.958 -177.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.6 mm -101.07 113.72 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.627 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 4.3 ttmp? -114.29 139.26 49.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.467 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 75' ' ' LEU . . . 175.73 -138.87 4.39 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.392 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -156.17 146.56 21.62 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 57' ' ' LYS . 15.3 ttmt 61.55 38.9 15.28 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.4 75.95 0.55 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.139 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.61 118.82 10.3 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG21 ' HZ ' ' A' ' 37' ' ' PHE . 4.7 tp -102.21 114.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.319 0.58 . . . . 0.0 111.534 -172.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -77.48 115.38 17.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 173.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -82.16 100.72 9.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.387 0.613 . . . . 0.0 112.279 -167.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.1 mt -133.73 128.77 35.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 168.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.63 45.98 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.839 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt 56.95 34.2 24.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.443 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.06 -45.84 82.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 6.36 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.42 6.88 43.48 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.626 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 29' ' ' THR . 56.2 tt0 -121.69 140.92 51.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 HG21 ' A' ' 31' ' ' VAL . 11.2 p -135.74 140.37 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.713 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -136.97 130.76 32.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.107 0.479 . . . . 0.0 110.835 177.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.67 168.29 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.988 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.79 51.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.429 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 23' ' ' ARG . . . 159.97 -170.84 36.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.085 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 57.4 mt -83.42 111.2 18.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.12 109.84 25.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.234 0.54 . . . . 0.0 110.442 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.32 -51.76 8.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.929 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -137.08 147.88 46.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.671 -174.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 0.2 OUTLIER -132.54 112.44 12.09 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD12 ' A' ' 51' ' ' LEU . 48.3 t -124.96 112.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 111.669 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.455 ' HB3' ' N ' ' B' ' 150' ' ' LEU . 0.5 OUTLIER -110.67 106.28 57.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.69 118.77 5.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.755 2.303 . . . . 0.0 112.308 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' B' ' 149' ' ' ALA . 3.6 pp -68.42 150.59 47.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.483 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.09 94.62 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.38 0.61 . . . . 0.0 111.303 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -101.21 99.37 9.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.672 0.749 . . . . 0.0 110.133 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.3 59.65 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.871 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -113.82 11.19 17.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 61.37 -95.99 0.06 Allowed 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.961 -174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -172.78 24.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.675 -177.145 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -87.36 124.45 33.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.278 0.561 . . . . 0.0 109.6 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -98.01 28.58 3.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.73 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -77.34 95.23 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 109.771 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.407 ' OE1' HD11 ' B' ' 147' ' ' ILE . 88.2 mt-30 -95.98 152.0 18.92 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.81 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' B' ' 144' ' ' GLU . 10.5 m-85 -106.92 112.03 24.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -100.75 107.79 19.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.344 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.85 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 23.3 t -104.8 113.84 27.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.765 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 41.6 tp -115.47 134.06 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.804 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.982 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 86.9 m -127.05 121.26 31.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.26 31.18 1.74 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -90.9 124.87 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.7 m -75.13 -46.87 31.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.003 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -168.63 164.72 12.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.928 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -100.41 140.12 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.632 0.253 . . . . 0.0 110.375 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 82.4 mt-30 -96.23 -34.46 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.077 0.465 . . . . 0.0 110.091 177.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.4 t -161.72 130.68 4.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -119.24 105.1 11.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.93 153.84 76.28 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.653 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.32 7.79 1.07 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.736 2.29 . . . . 0.0 113.629 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 129' ' ' LEU . 63.7 mttt -134.26 -31.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.618 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 20.8 mt-10 -135.31 115.6 13.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 111.054 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.12 124.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.82 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.18 101.3 12.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.77 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.11 109.66 21.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.697 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 36.0 tt0 -79.96 106.4 11.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.6 p -93.06 -177.23 4.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.932 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -44.45 -47.31 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 124.059 0.849 . . . . 0.0 112.06 -171.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -145.01 48.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.283 0.563 . . . . 0.0 110.105 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -172.59 -173.18 38.96 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.654 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 59.9 t -138.98 120.59 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -96.15 111.83 23.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.3 m -91.74 110.24 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 51.2 mt -93.86 116.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' B' ' 112' ' ' GLU . 32.5 tptt -113.23 127.79 56.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.03 -148.27 10.3 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.824 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 146' ' ' LEU . 65.4 mm-40 -127.85 137.35 52.31 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.984 0.514 . . . . 0.0 110.386 -176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.2 mttm 58.74 54.74 5.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.089 172.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -78.11 72.6 4.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.37 178.02 45.88 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.878 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 50.8 mm 71.3 97.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.626 0.727 . . . . 0.0 110.342 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -104.69 84.56 2.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.006 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.436 ' HB3' HG23 ' B' ' 141' ' ' VAL . 17.6 t-160 -87.1 85.73 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.672 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.57 93.42 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -91.24 -78.03 0.4 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.888 -171.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 63.89 20.25 12.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.106 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' B' ' 138' ' ' ALA . 75.2 mmtt -118.46 72.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 137' ' ' LYS . . . 83.64 -9.11 1.03 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.655 -172.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.22 1.85 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.959 171.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.57 ' HG2' HG23 ' B' ' 100' ' ' THR . 44.7 mt-30 -112.32 110.47 20.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.616 0.245 . . . . 0.0 110.383 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' B' ' 133' ' ' HIS . 7.8 p -137.05 134.34 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.0 111.356 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -119.5 112.54 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.535 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 51.6 t -102.57 138.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.438 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' B' ' 96' ' ' PHE . 52.7 mt-10 -118.27 125.03 49.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.655 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.94 -163.53 37.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.107 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 127' ' ' GLU . 40.9 mt -99.62 93.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.407 HD11 ' OE1' ' B' ' 95' ' ' GLN . 22.1 pt -82.98 115.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.537 0.684 . . . . 0.0 110.675 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.3 -40.34 21.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.25 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . . . -155.03 163.79 39.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.455 ' N ' ' HB3' ' A' ' 81' ' ' TYR . 94.7 mt -137.05 124.43 21.97 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.1 t -109.85 109.61 29.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.191 0.519 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 3.3 t80 -146.37 98.19 4.31 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.9 -104.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.229 1.953 . . . . 0.0 112.583 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 91.3 mt 57.53 15.33 2.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' B' ' 157' ' ' HIS . 45.9 mt-10 -64.12 -37.39 87.27 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.23 -6.75 1.08 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.928 0.767 . . . . 0.0 110.632 -174.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' B' ' 155' ' ' GLU . 55.8 t60 50.37 74.77 0.2 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.895 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . 0.422 ' HD2' ' O ' ' B' ' 155' ' ' GLU . 7.1 p80 -107.29 63.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' B' ' 160' ' ' HIS . 11.1 m170 66.26 -66.64 0.17 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' B' ' 159' ' ' HIS . 56.9 t-80 73.96 -66.0 0.32 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 . . . . . 0 C--O 1.242 0.694 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.638 172.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.84 40.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.23 -170.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.523 ' HA ' HD13 ' B' ' 118' ' ' ILE . 6.3 t30 -92.21 -15.01 28.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.19 121.33 19.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.218 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -97.88 148.8 23.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.807 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 27.8 m-85 -106.32 111.21 23.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB3' HG22 ' A' ' 72' ' ' VAL . 43.3 tp -96.44 113.38 24.95 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.223 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 32.3 m -113.86 113.4 24.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.838 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD13 HD13 ' B' ' 97' ' ' LEU . 26.7 tp -133.91 137.17 44.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 p -100.59 156.07 17.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.14 47.93 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.916 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 HG12 ' A' ' 70' ' ' VAL . 48.6 t -66.95 115.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 109.804 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 m -94.3 -39.44 10.5 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -169.72 163.73 9.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -100.95 138.7 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -96.48 -37.56 10.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -154.47 122.64 6.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -108.47 104.63 14.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 0.0 111.213 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.9 OUTLIER -123.16 142.7 39.06 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 23.0 Cg_exo -64.96 -11.66 30.79 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.107 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -104.4 -19.27 14.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.877 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.9 tt0 -168.85 121.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.564 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.2 mt -114.81 130.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.693 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.41 102.14 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.75 123.31 42.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.51 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.78 118.1 27.07 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.389 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -101.05 -164.45 1.11 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.41 89.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 O-C-N 123.466 0.479 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 54.96 43.59 29.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.997 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.52 173.58 34.3 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.0 t -134.16 115.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 117.346 0.573 . . . . 0.0 110.861 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 60.5 tp -99.33 113.54 25.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.84 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -90.18 116.5 28.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -103.16 110.59 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 59.4 tttp -110.02 138.89 45.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 166.54 -145.82 10.32 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.192 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -137.62 139.42 40.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.911 0.355 . . . . 0.0 111.466 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt 61.14 52.79 3.83 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.732 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.27 73.04 4.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.08 121.88 6.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.854 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 72' ' ' VAL . 35.6 pt -88.63 -25.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.671 0.272 . . . . 0.0 110.453 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 71.97 -56.32 0.64 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.745 0.818 . . . . 0.0 111.274 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -121.63 135.51 54.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.297 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -123.89 28.3 6.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.319 0.58 . . . . 0.0 110.69 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 66' ' ' LYS . 12.3 p-10 -82.78 -2.78 55.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.148 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 65' ' ' LEU . 5.7 tt 74.47 -32.83 0.24 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.691 0.796 . . . . 0.0 110.558 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' ASP . 44.6 tttp 69.24 -83.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.697 0.799 . . . . 0.0 111.462 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.55 22.14 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.245 0.545 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 97.74 41.73 3.28 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.469 -175.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -144.16 144.23 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG12 HG21 ' A' ' 31' ' ' VAL . 10.4 p -141.91 137.05 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 0.0 110.621 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -123.3 106.47 10.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 60' ' ' ILE . 35.3 m -109.19 144.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.944 0.402 . . . . 0.0 111.626 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.68 170.78 42.28 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.353 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.3 mt -83.12 77.31 9.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.448 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.3 pt -77.39 143.51 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.826 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.59 -58.84 2.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.993 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' B' ' 154' ' ' LEU . . . -122.04 138.41 54.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.695 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.25 114.84 24.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 171.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.84 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 45.8 t -112.96 113.49 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.966 0.412 . . . . 0.0 111.316 -175.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' HB3' ' HB2' ' B' ' 150' ' ' LEU . 4.0 t80 -144.0 97.86 5.26 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 174.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.95 -53.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.138 2.559 . . . . 0.0 112.851 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp 62.32 90.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.576 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -92.1 -28.77 16.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.918 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -84.28 142.05 30.52 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.67 4.59 9.15 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -169.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 75.95 -33.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.251 0.62 . . . . 0.0 111.66 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -157.55 157.65 34.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.502 0.192 . . . . 0.0 110.991 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.2 t60 76.35 147.89 0.1 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.906 0.86 . . . . 0.0 113.176 168.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.621 173.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.6 -72.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.378 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.545 ' HB3' HD12 ' B' ' 146' ' ' LEU . 0.2 OUTLIER -154.28 -29.59 0.12 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.75 -175.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -60.36 129.7 42.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -128.73 147.59 50.78 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -100.62 123.61 45.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.801 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.494 HD13 HD13 ' A' ' 28' ' ' LEU . 60.3 tp -118.29 122.55 43.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.857 0.361 . . . . 0.0 110.728 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 11.3 t -122.56 126.94 48.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.937 177.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.495 HD22 HD23 ' B' ' 122' ' ' LEU . 15.5 tp -124.73 142.71 51.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.035 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -111.35 165.54 11.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 174.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.68 29.56 42.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.754 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.06 117.6 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -77.17 -48.63 17.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.719 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -171.54 173.21 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.966 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.03 136.32 31.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.361 . . . . 0.0 110.658 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 75.6 mt-30 -89.71 -50.7 5.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.329 0.585 . . . . 0.0 110.31 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m -140.94 126.53 18.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.923 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -112.32 105.48 13.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 0.0 110.269 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 14.5 t70 -130.32 136.85 29.63 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.208 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 34.4 Cg_exo -59.88 -14.59 28.2 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.858 2.372 . . . . 0.0 113.435 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -105.59 -16.61 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.424 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.626 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 39.2 tt0 -165.8 115.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.056 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.4 mt -108.88 136.22 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt -111.1 107.36 16.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.477 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 92.2 mt -94.68 129.09 41.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.767 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.569 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.5 tm-20 -94.39 106.78 18.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.495 HG21 HD21 ' B' ' 99' ' ' LEU . 64.4 p -107.08 -178.58 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.506 -173.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 22' ' ' ASN . 63.2 mt -22.97 -64.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.13 1.372 . . . . 0.0 113.674 -177.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -142.48 27.27 1.72 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.342 0.591 . . . . 0.0 109.662 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.83 -171.54 19.72 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.338 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.567 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 40.7 t -132.49 143.33 40.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.605 HD13 ' CD2' ' B' ' 152' ' ' TYR . 32.7 tp -118.94 121.92 41.06 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.565 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.5 m -101.59 111.84 24.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.585 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 6.5 mm -97.45 110.88 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -112.51 132.62 55.0 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.742 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.85 -143.79 7.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.6 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -134.25 139.14 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.594 0.235 . . . . 0.0 110.868 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 49.19 62.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.605 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.25 72.68 10.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.676 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.45 140.84 28.89 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.672 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 12.7 tt -117.88 143.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 O-C-N 122.638 -0.33 . . . . 0.0 110.583 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -81.0 147.47 30.19 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -74.62 82.15 2.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.28 103.28 10.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.05 152.63 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.165 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 96.6 mt -74.04 78.77 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.48 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -76.77 -54.68 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.595 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -115.32 22.49 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.062 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.32 52.62 21.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.005 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.89 140.91 52.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 98' ' ' SER . 93.0 t -132.68 143.9 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.346 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -130.55 119.53 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.82 141.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.87 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.38 139.7 51.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.76 -162.99 35.44 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.147 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' B' ' 93' ' ' ASN . 2.2 mm? -92.94 85.17 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 33.0 pt -80.16 140.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.66 -48.65 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -133.03 144.84 50.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.07 0.462 . . . . 0.0 112.086 -174.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 81' ' ' TYR . 3.0 mm? -123.95 124.19 42.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.932 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 61.6 t -126.62 127.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.605 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -121.77 98.67 45.29 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 9.6 Cg_endo -56.14 121.59 10.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.831 2.354 . . . . 0.0 111.584 172.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 78' ' ' ALA . 70.6 mt -91.63 142.73 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.495 -171.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.79 -177.01 0.14 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 124.353 1.033 . . . . 0.0 113.485 168.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -82.87 -25.25 32.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.583 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.13 106.71 18.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -84.96 115.02 22.57 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.915 -172.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -65.77 128.07 34.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -154.61 84.97 1.11 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.477 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.005 -177.201 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 23' ' ' ARG . 4.0 t70 68.81 -172.89 0.18 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.058 0.849 . . . . 0.0 110.642 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -122.55 -12.53 8.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.409 0.623 . . . . 0.0 109.631 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HG2' ' OD1' ' A' ' 21' ' ' ASP . 8.4 ptp180 -93.86 142.31 27.52 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.776 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -119.17 143.34 47.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -97.73 112.82 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 tp -99.73 109.36 21.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 19.5 m -110.21 110.84 21.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.879 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 51' ' ' LEU . 50.2 tp -126.66 135.4 51.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.112 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 p -97.93 -179.04 4.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 32.19 83.39 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.637 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' HA ' HG22 ' A' ' 46' ' ' THR . 43.5 t -97.34 116.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.749 0.309 . . . . 0.0 110.333 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -75.12 -47.38 28.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.832 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -169.55 150.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.8 t -82.15 119.69 32.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 91.2 mt-30 -73.8 -45.3 52.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.603 0.716 . . . . 0.0 110.147 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.9 t -138.39 127.7 24.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.409 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -120.87 104.16 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 40' ' ' LYS . 19.0 t70 -130.58 147.59 66.62 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.33 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 38' ' ' ASP . 9.4 Cg_endo -51.5 -12.79 1.09 Allowed 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.574 2.849 . . . . 0.0 114.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HB3' ' HE2' ' A' ' 40' ' ' LYS . 10.7 ptpt -140.19 13.64 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.35 -0.54 . . . . 0.0 112.388 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -156.47 120.7 4.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.619 0.247 . . . . 0.0 110.436 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 53' ' ' ILE . 71.7 mt -134.7 117.63 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.602 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.9 mt -102.03 106.21 17.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.373 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 51' ' ' LEU . 85.2 mt -93.72 110.39 22.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.064 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 3.1 tm-20 -81.13 106.15 12.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 31' ' ' VAL . 59.0 p -111.75 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.0 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -33.03 -56.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.323 1.015 . . . . 0.0 113.56 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -140.14 37.18 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 111.509 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' HA3' ' HG2' ' A' ' 82' ' ' PRO . . . 170.36 162.02 21.93 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.716 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.06 130.06 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 110.548 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 44' ' ' LEU . 51.4 tp -94.94 117.18 29.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.767 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' HD23 ' A' ' 43' ' ' LEU . 14.3 m -92.09 106.18 18.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.31 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.497 ' HB ' ' HB ' ' A' ' 42' ' ' ILE . 55.8 mt -97.07 120.29 46.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.277 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -123.38 135.94 54.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.697 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 172.59 -149.95 12.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.059 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -135.59 145.49 46.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 122.326 0.25 . . . . 0.0 110.674 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.78 44.23 8.84 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.502 0.501 . . . . 0.0 111.727 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 10.3 mp -76.74 73.11 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 178.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 60' ' ' ILE . . . -113.75 178.64 18.51 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.219 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 2.6 mp 72.38 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.271 0.558 . . . . 0.0 111.166 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -177.76 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.552 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 73.49 123.55 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -167.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -57.17 -42.8 81.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -166.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -57.91 157.92 7.15 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.711 0.767 . . . . 0.0 112.502 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 tp -110.44 105.04 13.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.209 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -55.5 -47.15 76.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.99 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.82 -66.84 0.07 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.309 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.66 65.78 0.22 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.496 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -153.42 141.98 20.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.718 -0.284 . . . . 0.0 110.63 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.09 132.75 70.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.231 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.88 107.22 9.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 10.7 p -130.01 147.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.653 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -115.39 144.23 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.258 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.67 38.95 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.301 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -96.05 72.86 2.96 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 13.0 pt -78.53 131.8 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.544 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 15.0 m-20 -97.08 -40.04 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.807 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' B' ' 154' ' ' LEU . . . -137.32 134.15 35.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 112.14 -175.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 84.0 mt -121.38 113.97 20.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 172.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' HD12 ' A' ' 51' ' ' LEU . 61.9 t -117.29 115.5 48.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.712 0.291 . . . . 0.0 111.483 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.619 ' CD1' ' HD2' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -103.21 141.26 22.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.619 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 59.4 Cg_exo -52.58 107.51 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.862 2.374 . . . . 0.0 113.458 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.4 tp -143.08 -51.6 0.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 1.7 mp0 59.55 -115.56 0.75 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.859 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 70.81 -56.03 0.63 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.66 0.784 . . . . 0.0 111.3 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -108.17 3.43 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 0.0 109.947 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 84' ' ' GLU . 11.2 m-70 -75.6 118.51 18.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -77.7 151.6 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.919 -175.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -68.2 -174.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.018 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.97 179.73 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.668 0.271 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' B' ' 93' ' ' ASN . 1.6 p-10 -75.23 -86.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 0.0 110.369 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.427 ' H ' ' CG ' ' B' ' 92' ' ' ASP . 0.2 OUTLIER -126.15 -26.56 3.37 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -69.52 130.8 43.46 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.233 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -115.49 143.9 44.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -102.0 112.85 25.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 56.7 tp -113.41 125.87 54.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.921 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 30.5 t -124.04 122.12 37.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.376 175.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.01 138.87 52.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.494 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.553 HG22 ' HG2' ' B' ' 140' ' ' GLN . 65.5 p -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.349 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 9.27 68.54 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.79 139.6 20.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.769 0.318 . . . . 0.0 110.248 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.7 p -114.86 -39.56 3.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' B' ' 116' ' ' GLU . 58.3 mttp -140.12 150.84 44.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.41 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.815 HE21 ' HB2' ' B' ' 116' ' ' GLU . 82.4 mm-40 -63.89 -58.34 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' B' ' 114' ' ' LEU . 11.9 p -156.65 117.94 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' B' ' 132' ' ' LYS . 72.4 t80 -91.28 107.91 19.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 18.7 t70 -130.78 133.15 24.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.389 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' B' ' 129' ' ' LEU . 24.2 Cg_exo -66.37 14.1 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.248 2.632 . . . . 0.0 113.86 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.24 -34.22 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.988 0.423 . . . . 0.0 110.052 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' B' ' 109' ' ' ASP . 45.4 tt0 -139.25 103.25 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 66.4 mt -93.87 114.09 29.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.214 0.53 . . . . 0.0 109.929 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.414 ' HB2' ' OG ' ' B' ' 107' ' ' SER . 81.6 mt -105.18 116.58 32.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.303 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.539 HD13 ' H ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -132.77 151.08 52.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.366 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.815 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -101.32 127.1 48.09 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 119' ' ' GLN . 5.2 t -123.53 146.62 47.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 47.41 -79.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 117' ' ' THR . 20.0 tt0 -148.75 11.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.495 . . . . 0.0 110.682 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.53 151.61 20.92 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.318 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 42.7 t -93.15 129.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 tt -106.43 146.29 30.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.667 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.693 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 30.2 t -115.66 120.34 39.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 111.404 -175.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.3 mt -104.78 115.42 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.11 135.48 54.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.839 0.352 . . . . 0.0 111.437 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 171.95 -154.71 22.31 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.056 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -120.77 140.18 52.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 51.5 tttm 54.96 63.4 2.14 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.441 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 110' ' ' PRO . 10.5 mp -82.39 72.53 9.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.723 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.93 -178.73 34.75 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.119 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 55.0 mt 64.4 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.513 0.673 . . . . 0.0 109.993 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -94.31 105.67 17.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.83 -175.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -84.73 80.7 9.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 134' ' ' LEU . 2.0 pp -85.36 16.76 3.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.383 -172.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.78 85.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 0.0 110.876 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 tt -83.89 77.3 9.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -137.56 -59.28 0.68 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.891 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -91.45 -3.89 56.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.725 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.18 50.69 49.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.427 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' B' ' 100' ' ' THR . 26.0 mt-30 -131.71 136.32 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 8.5 p -139.87 129.98 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.298 0.57 . . . . 0.0 111.955 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -111.75 142.9 43.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.934 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 12.7 p -143.56 146.23 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.567 0.222 . . . . 0.0 110.825 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -121.58 131.49 54.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 160.67 -178.97 36.46 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.21 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 146' ' ' LEU . 4.1 mp -87.98 74.1 9.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.05 0.452 . . . . 0.0 110.017 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.8 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 31.8 pt -74.29 132.95 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.422 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.12 -24.52 14.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.09 148.3 25.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.488 0.661 . . . . 0.0 112.134 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.459 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 96.9 mt -124.65 120.15 31.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.322 172.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.5 t -113.14 116.37 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.089 0.471 . . . . 0.0 111.62 -173.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.425 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -116.37 110.09 43.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.87 88.04 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.759 2.306 . . . . 0.0 112.751 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . 3.2 tm? -85.73 -44.21 12.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.47 103.87 13.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -76.13 147.11 38.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.447 -172.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -67.68 98.65 0.72 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.17 139.9 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 63.45 98.52 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 O-C-N 124.038 0.836 . . . . 0.0 112.394 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.25 83.54 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.459 . . . . 0.0 111.275 174.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.153 172.218 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.581 ' O ' HD13 ' B' ' 118' ' ' ILE . 25.3 t70 -77.67 84.35 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HB2' HD22 ' A' ' 75' ' ' LEU . 15.8 m120 -118.96 -3.96 10.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.633 -178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -88.92 99.97 12.82 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.742 0.782 . . . . 0.0 109.989 -177.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 76' ' ' ILE . 78.1 mt-30 -95.05 155.13 16.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.05 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -98.23 111.68 23.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.0 tp -99.79 107.84 19.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.024 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 15.9 m -110.27 122.81 48.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.937 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 29' ' ' THR . 45.2 tp -137.95 159.79 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.087 0.47 . . . . 0.0 110.624 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.46 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -130.18 159.35 37.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.416 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.06 33.02 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.35 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.427 HG11 HD22 ' A' ' 44' ' ' LEU . 59.1 t -90.82 123.76 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -98.38 -33.99 10.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 45' ' ' GLU . 24.5 ttmt -157.4 153.09 26.66 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.865 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -104.69 121.25 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 172.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.29 -49.75 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -147.46 138.12 23.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.721 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -120.34 105.13 10.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.247 0.546 . . . . 0.0 111.059 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -133.91 142.07 42.11 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.82 -10.42 5.47 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.079 2.519 . . . . 0.0 113.413 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -95.6 -31.3 13.35 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 33.6 tt0 -158.97 125.59 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 -174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.5 121.55 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.001 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.94 105.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.553 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 31' ' ' VAL . 94.5 mt -97.75 118.03 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' LYS . 31.2 tt0 -79.92 112.87 17.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 p -99.69 173.55 6.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.374 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -35.55 -55.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.377 1.048 . . . . 0.0 111.804 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -139.96 72.42 1.4 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.288 0.566 . . . . 0.0 109.644 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.17 -169.38 36.73 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.635 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.3 t -139.03 126.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 tp -96.96 111.18 23.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.713 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 41.3 t -90.39 101.76 14.49 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.711 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 46.2 mt -89.58 110.39 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -108.73 137.75 46.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 169.82 -138.34 4.98 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.306 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.601 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 25.0 tt0 -157.59 152.29 25.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 34.7 mmtp 65.8 29.64 10.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.595 0.236 . . . . 0.0 110.473 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD21 HG22 ' A' ' 53' ' ' ILE . 8.3 mp -70.49 73.24 0.52 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.611 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.74 114.01 4.28 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.052 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 7.4 tt -92.69 100.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.386 0.612 . . . . 0.0 110.413 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -87.84 77.36 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -167.24 139.49 3.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.521 -1.218 . . . . 0.0 107.864 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD21 ' HE3' ' A' ' 66' ' ' LYS . 1.9 pt? -60.56 162.54 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.97 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.4 tp 70.46 -61.93 0.45 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.841 0.856 . . . . 0.0 113.204 171.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.69 ' HE3' HD21 ' A' ' 63' ' ' LEU . 38.1 ttmt 66.92 -81.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.569 0.748 . . . . 0.0 110.96 -173.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.0 10.82 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.663 0.268 . . . . 0.0 111.431 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.49 26.34 6.24 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -113.84 124.2 51.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 72' ' ' VAL . 11.3 p -118.58 134.85 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.007 0.432 . . . . 0.0 111.075 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 60' ' ' ILE . 36.1 mt-10 -129.64 106.28 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.55 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG23 HG22 ' A' ' 70' ' ' VAL . 59.5 t -117.24 126.0 74.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.653 0.263 . . . . 0.0 110.609 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -115.48 125.79 53.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 172.99 -175.45 45.93 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.923 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 22' ' ' ASN . 42.0 mt -87.3 83.8 7.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.492 HD11 ' OE1' ' A' ' 24' ' ' GLN . 39.4 pt -72.54 145.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.29 0.567 . . . . 0.0 110.587 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.454 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 35.2 t70 -113.11 -45.81 3.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.477 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.66 163.45 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 87.9 mt -131.07 125.74 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 59.5 t -117.28 128.08 74.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.603 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 0.6 OUTLIER -132.66 112.43 13.83 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.93 125.89 20.6 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.937 2.425 . . . . 0.0 111.958 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.6 pt? -138.49 -7.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.13 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.5 mp0 -64.36 -90.31 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 -175.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.436 ' H ' ' HB2' ' A' ' 84' ' ' GLU . 11.6 m170 -158.68 121.85 3.79 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -132.3 161.39 33.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.114 0.483 . . . . 0.0 110.803 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -111.94 -177.58 3.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -106.12 -90.8 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 175.53 136.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.27 176.496 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 10.9 tmm? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -166.84 147.05 5.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.569 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -89.89 1.24 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -77.84 89.81 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -89.89 146.4 24.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.98 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.97 112.19 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.686 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.7 107.27 18.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.35 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 14.9 m -104.42 122.99 46.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.177 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 122' ' ' LEU . 36.0 tp -127.7 132.92 49.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -109.45 125.58 52.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.107 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.55 4.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.172 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.432 HG11 HD22 ' B' ' 115' ' ' LEU . 27.6 t -84.36 144.02 10.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m -106.6 -47.8 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.656 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -149.78 146.63 27.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.19 119.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 171.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.54 HE21 ' HB2' ' B' ' 116' ' ' GLU . 73.3 mt-30 -77.47 -41.8 38.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.431 . . . . 0.0 110.43 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -150.96 132.9 15.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.816 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -116.96 105.81 12.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.221 0.534 . . . . 0.0 110.267 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.35 140.71 36.87 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.61 -16.9 11.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.777 2.318 . . . . 0.0 113.522 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -118.74 1.39 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.585 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 36.5 tt0 -163.34 120.62 1.86 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.066 0.46 . . . . 0.0 111.7 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.457 HG13 HD23 ' B' ' 129' ' ' LEU . 62.0 mt -116.59 125.11 73.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 94.3 mt -103.33 104.2 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.461 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.485 HD12 HD23 ' B' ' 122' ' ' LEU . 93.3 mt -98.82 115.52 28.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.091 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.54 ' HB2' HE21 ' B' ' 106' ' ' GLN . 41.6 tt0 -83.77 116.16 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.3 t -124.26 -177.75 3.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.76 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.633 HG22 ' HG3' ' B' ' 119' ' ' GLN . 41.2 mt -34.25 -68.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.027 1.331 . . . . 0.0 113.474 -171.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.633 ' HG3' HG22 ' B' ' 118' ' ' ILE . 24.5 mt-30 -129.55 49.28 2.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.736 0.303 . . . . 0.0 110.73 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.87 -169.6 40.89 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.459 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.651 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 61.1 t -132.0 140.23 48.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 99' ' ' LEU . 59.6 tp -104.13 114.9 29.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.519 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.6 t -98.78 104.55 16.61 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 24.8 mt -95.23 115.8 35.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.23 140.39 47.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.29 -137.07 4.65 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 156.72 34.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 65.21 32.51 9.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 0.0 110.439 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.457 HD23 HG13 ' B' ' 113' ' ' ILE . 7.9 mp -74.26 75.4 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.756 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.62 -129.77 1.09 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.215 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' B' ' 144' ' ' GLU . 73.2 mt 70.68 120.1 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.516 ' HD3' ' HB2' ' B' ' 133' ' ' HIS . 0.2 OUTLIER 75.95 -46.23 0.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 165.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.516 ' HB2' ' HD3' ' B' ' 132' ' ' LYS . 3.3 m170 -137.06 93.8 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.635 -0.665 . . . . 0.0 111.829 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.442 ' O ' HD23 ' B' ' 134' ' ' LEU . 6.3 tt -96.28 -36.02 11.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.628 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.51 128.15 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.223 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.581 HD12 ' HA2' ' B' ' 139' ' ' GLY . 2.6 pt? -86.26 -3.44 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.048 0.217 . . . . 0.0 111.476 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.7 tptm 54.27 -93.56 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.361 0.664 . . . . 0.0 112.102 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -98.93 -11.97 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.079 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . 0.581 ' HA2' HD12 ' B' ' 136' ' ' LEU . . . 138.88 9.42 0.97 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.623 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -112.11 110.33 20.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 15.0 p -113.16 141.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.064 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -130.75 106.38 8.42 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.18 126.57 56.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 -175.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 131' ' ' ILE . 78.7 mt-10 -113.6 129.32 56.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.599 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.29 38.59 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.532 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 62.3 mt -89.11 86.56 6.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 19.3 pt -81.53 124.38 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.275 0.56 . . . . 0.0 110.646 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -94.8 -47.53 6.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.793 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -150.13 145.51 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.944 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.401 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 4.3 mm? -116.15 127.51 54.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.753 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.0 t -123.47 123.98 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.077 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 17.5 t80 -124.45 98.15 38.43 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.519 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.651 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 17.0 Cg_exo -69.45 146.82 63.31 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.681 2.254 . . . . 0.0 111.378 169.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.35 -174.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.054 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' B' ' 119' ' ' GLN . 29.4 tt0 -67.86 81.85 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.27 0.557 . . . . 0.0 110.014 176.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.61 129.45 34.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.554 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -89.45 99.6 12.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.171 0.51 . . . . 0.0 110.147 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -137.36 -15.23 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 18.6 m170 64.8 -175.27 0.17 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.788 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -117.1 125.14 50.8 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.534 -174.206 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.2 ttp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.658 0.265 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -83.32 -44.87 14.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -68.15 169.6 10.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.029 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 65.1 mtt180 67.34 94.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.346 0.593 . . . . 0.0 109.935 -171.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -106.08 157.89 17.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.98 112.55 24.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.73 109.38 20.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.74 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.7 m -116.62 131.25 57.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.238 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -140.71 137.6 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.665 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -105.85 148.02 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.787 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 -9.39 33.33 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.701 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.26 129.58 22.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -91.65 -43.98 9.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.697 ' HA ' HD21 ' A' ' 65' ' ' LEU . 23.1 pttm -166.24 170.6 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 110.894 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.4 t -102.77 129.15 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.889 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -84.89 -57.88 2.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.138 0.494 . . . . 0.0 110.528 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -124.97 132.16 53.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.69 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -123.58 105.33 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 111.133 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -132.73 140.8 38.88 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.15 -6.79 4.09 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.078 2.519 . . . . 0.0 113.62 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.53 0.3 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.81 105.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.819 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.89 132.44 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' SER . 92.5 mt -109.57 104.61 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.489 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 70' ' ' VAL . 93.3 mt -92.99 120.01 32.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.781 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.83 115.1 27.62 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -123.65 -168.57 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.776 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 pt -58.18 105.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 112.172 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 61.97 18.98 10.37 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.986 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 157.31 28.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -121.04 125.31 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 58.7 tp -96.38 109.81 22.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.835 0.35 . . . . 0.0 110.239 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.633 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.7 t -89.26 103.49 16.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.116 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.2 mt -95.31 116.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.484 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -126.53 143.59 51.15 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.102 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 77' ' ' ASP . . . 164.02 -137.78 4.94 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.245 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 134.82 46.16 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.442 0.297 . . . . 0.0 110.99 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 56.59 60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.776 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.55 72.04 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.22 102.87 1.75 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.644 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 tt -100.86 127.22 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.03 0.443 . . . . 0.0 110.232 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -93.64 -32.97 13.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -80.14 87.5 5.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.8 0.333 . . . . 0.0 111.181 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -95.74 -15.5 22.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 0.0 109.91 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.95 89.25 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.322 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 33' ' ' LYS . 57.1 tp -88.22 101.08 13.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.852 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -141.61 -34.48 0.48 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.05 -31.54 14.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 51.77 1.22 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.663 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -141.19 125.07 17.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 HD22 ' A' ' 44' ' ' LEU . 80.3 t -108.04 138.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.52 106.57 6.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.409 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.45 136.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.98 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -120.74 125.55 47.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.461 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 163.49 -166.22 37.12 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.135 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.2 mt -89.24 97.19 11.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -86.36 110.37 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.094 0.473 . . . . 0.0 110.26 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 1.1 m-20 -86.27 -39.35 16.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.27 161.36 42.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 111.471 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.452 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 96.9 mt -139.93 118.24 12.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.118 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -115.21 120.55 64.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 11.9 t80 -132.24 107.35 13.52 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.0 115.65 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.479 2.12 . . . . 0.0 111.259 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.927 ' HB3' ' HB2' ' B' ' 149' ' ' ALA . 0.0 OUTLIER -77.79 156.7 30.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 -177.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 11.1 tt0 -114.49 -35.68 4.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.352 178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' A' ' 86' ' ' HIS . 34.8 t-80 71.03 -67.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.813 0.696 . . . . 0.0 109.203 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 85' ' ' HIS . 43.6 t-80 170.46 95.61 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.447 0.699 . . . . 0.0 109.338 173.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' HD2' ' CD ' ' A' ' 84' ' ' GLU . 20.0 p80 -74.78 139.39 43.28 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.305 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -76.69 170.09 17.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.858 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.5 t60 69.08 127.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.011 0.819 . . . . 0.0 111.053 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.303 177.234 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 121.58 0.705 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -172.72 -132.95 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.765 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -75.42 -18.4 59.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -75.82 112.64 12.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -98.75 135.25 40.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.834 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.47 113.6 25.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.521 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.78 116.7 32.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 11.5 t -113.6 133.57 55.21 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.81 141.2 34.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.679 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 58.7 p -115.53 19.18 15.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -126.85 34.9 3.01 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.08 -1.057 . . . . 0.0 112.668 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 44.3 t -100.08 140.62 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -105.01 -40.28 5.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.798 ' HA ' HD21 ' B' ' 136' ' ' LEU . 39.9 ttmt -165.57 163.09 19.41 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.627 HG12 HD23 ' B' ' 115' ' ' LEU . 33.8 m -100.57 125.64 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.083 0.468 . . . . 0.0 110.13 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -79.75 -55.03 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.216 0.531 . . . . 0.0 110.032 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.1 m -130.8 118.61 21.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.051 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -105.26 105.72 15.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.87 140.43 37.66 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.14 -23.78 30.62 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.851 2.367 . . . . 0.0 113.854 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 30.4 mttp -102.83 -15.21 16.3 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 29.4 tt0 -161.75 117.3 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.198 0.523 . . . . 0.0 111.294 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.91 129.94 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.265 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -100.36 100.43 11.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.192 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.627 HD23 HG12 ' B' ' 105' ' ' VAL . 95.4 mt -89.14 118.74 29.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.113 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.62 103.93 12.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 57.3 p -84.66 -164.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 118' ' ' ILE . 37.3 mt -56.29 91.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.454 0.471 . . . . 0.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 62.23 10.93 4.1 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.482 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.94 -172.86 13.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.452 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 20.8 t -136.99 132.18 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.65 0.262 . . . . 0.0 110.473 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 66.2 tp -115.02 116.09 27.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.718 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.5 t -90.31 112.91 24.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 0.0 110.31 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -92.55 116.0 32.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -113.01 138.26 50.15 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.276 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.733 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 160.94 -163.61 34.33 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.8 177.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.508 ' HG3' ' HE3' ' B' ' 111' ' ' LYS . 4.0 mp0 -117.08 144.32 44.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.884 0.342 . . . . 0.0 110.687 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 57.31 50.25 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.012 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.12 72.1 1.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.257 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -89.18 119.79 5.55 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.757 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.666 HG12 HG22 ' B' ' 143' ' ' VAL . 58.5 mt -73.52 119.82 21.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.965 0.412 . . . . 0.0 110.014 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -79.76 -45.46 18.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.246 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -88.78 82.17 6.85 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 89.2 mt -77.19 77.87 3.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -168.92 122.81 0.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.798 HD21 ' HA ' ' B' ' 104' ' ' LYS . 34.7 tp -93.74 -3.38 52.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.06 0.457 . . . . 0.0 110.633 -175.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' B' ' 138' ' ' ALA . 64.9 tttp -68.81 141.91 55.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 137' ' ' LYS . . . 78.15 -14.61 0.84 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.027 0.829 . . . . 0.0 110.811 -177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.05 79.81 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.537 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 70.2 mt-30 -105.41 117.33 33.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.0 p -118.95 151.74 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 0.0 110.951 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -139.37 110.76 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.666 HG22 HG12 ' B' ' 131' ' ' ILE . 45.8 t -115.47 131.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.714 0.292 . . . . 0.0 110.663 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.13 131.72 56.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.2 -174.26 46.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.777 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.4 71.4 3.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.733 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 14.4 pt -75.15 134.52 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.441 0.638 . . . . 0.0 111.834 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.53 -29.76 11.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.887 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.927 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . . . -156.91 160.8 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 112.837 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.525 HD21 HD12 ' B' ' 147' ' ' ILE . 3.8 mm? -136.06 118.04 15.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.564 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 53.7 t -117.13 113.33 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.943 0.402 . . . . 0.0 111.32 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.452 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -125.2 107.98 27.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.452 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 74.4 Cg_endo -75.11 174.48 12.72 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.004 2.47 . . . . 0.0 112.662 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.37 109.85 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.342 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.64 -70.36 0.26 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.806 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.5 141.05 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -96.52 16.18 19.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.12 0.486 . . . . 0.0 110.807 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -111.32 112.11 23.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -136.36 110.95 8.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.247 0.546 . . . . 0.0 110.133 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -66.08 -22.29 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.774 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.56 172.713 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.417 ' HG2' ' H ' ' A' ' 21' ' ' ASP . 5.2 ttt . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' H ' ' HG2' ' A' ' 20' ' ' MET . 5.5 m-20 72.15 168.42 0.31 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.785 0.802 . . . . 0.0 112.419 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.69 27.21 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 79.9 mtt180 -73.89 108.33 6.64 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.793 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HB2' HD11 ' A' ' 76' ' ' ILE . 80.1 mt-30 -106.95 143.42 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.656 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -99.72 112.6 24.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -107.43 133.61 51.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.653 -176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.699 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 32.2 t -132.72 117.05 17.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 tp -124.66 132.42 53.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 69' ' ' GLN . 30.4 p -101.65 122.76 44.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.4 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.17 27.73 1.79 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.05 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 44' ' ' LEU . 61.2 t -94.07 128.15 45.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -100.53 -17.38 17.13 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -169.0 153.59 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.804 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 m -103.94 109.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 45' ' ' GLU . 76.5 mt-30 -69.9 -55.0 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -174.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 m -133.94 119.74 19.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.013 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -93.33 105.41 17.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.265 0.555 . . . . 0.0 110.035 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.547 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 14.6 t70 -131.21 132.98 24.05 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 26.6 Cg_exo -62.89 -9.67 17.44 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.793 2.329 . . . . 0.0 113.453 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -117.95 -1.99 11.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 111.269 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 44.2 tt0 -168.26 108.1 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.192 0.52 . . . . 0.0 111.498 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 HD23 ' A' ' 58' ' ' LEU . 65.9 mt -104.27 122.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.187 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -94.95 106.46 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 91.6 mt -91.49 122.53 34.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' A' ' 35' ' ' GLN . 43.7 tt0 -94.07 116.08 28.47 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -106.76 178.24 4.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.537 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.62 HG13 ' H ' ' A' ' 48' ' ' GLN . 8.2 pt -30.51 -57.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 124.669 1.231 . . . . 0.0 113.033 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' H ' HG13 ' A' ' 47' ' ' ILE . 24.6 mm-40 -147.8 58.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.355 0.598 . . . . 0.0 110.339 173.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.19 -179.71 41.89 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.923 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.84 121.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 59.3 tp -96.39 107.58 19.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.719 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -89.2 103.15 15.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 50.4 mt -89.59 114.16 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -109.58 144.99 37.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.62 -146.94 14.73 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.891 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -141.15 154.14 45.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.664 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 11.0 tmtt? 60.77 49.14 6.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.628 0.728 . . . . 0.0 109.04 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG13 ' A' ' 42' ' ' ILE . 7.9 mp -80.7 72.14 7.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.379 0.609 . . . . 0.0 110.277 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.46 96.46 1.02 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.121 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 HD11 HG13 ' A' ' 70' ' ' VAL . 9.4 tp -68.29 139.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 67.9 mttm -90.93 106.36 18.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 37.2 m80 75.18 119.7 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.367 1.042 . . . . 0.0 110.379 -170.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.0 -37.88 89.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.99 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.8 137.38 32.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.7 pt? -53.44 123.24 11.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 0.0 110.091 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -61.17 -62.09 2.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.445 -172.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -168.01 84.21 0.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.544 0.212 . . . . 0.0 110.624 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.86 -40.0 0.8 Allowed Glycine 0 CA--C 1.523 0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 113.211 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.646 ' HG2' HG22 ' A' ' 29' ' ' THR . 15.1 mt-30 -87.58 134.36 33.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.76 0.314 . . . . 0.0 110.585 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG13 HD11 ' A' ' 60' ' ' ILE . 53.5 t -114.6 122.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.519 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.39 127.37 53.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.04 142.95 37.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.646 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -128.81 136.44 50.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.969 0.414 . . . . 0.0 110.432 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 154.58 -164.02 31.44 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.574 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.56 67.24 10.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 24' ' ' GLN . 25.2 pt -74.57 118.78 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.395 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -87.92 -55.68 3.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.096 -173.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.6 149.8 39.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.218 0.532 . . . . 0.0 111.56 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.558 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 79.9 mt -115.9 122.39 45.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.013 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.719 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 59.5 t -108.81 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.897 0.379 . . . . 0.0 110.692 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 0.2 OUTLIER -115.8 99.53 52.64 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.367 177.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.36 153.46 18.36 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.084 2.523 . . . . 0.0 112.2 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.2 mt -99.04 138.38 36.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.004 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.32 -45.49 62.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -77.29 83.42 3.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.49 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 73.7 t60 -170.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.864 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 86' ' ' HIS . 17.7 t-80 175.99 -46.7 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.632 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -67.65 114.33 6.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.011 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -86.69 114.49 23.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--O 1.249 1.038 0 O-C-N 123.901 0.751 . . . . 0.0 110.077 -174.402 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.625 0.25 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -95.72 81.82 3.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.25 0.548 . . . . 0.0 109.988 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -89.91 -8.77 51.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -81.72 93.2 6.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.259 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -91.91 141.67 28.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.973 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -98.0 116.71 30.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.7 tp -109.66 110.81 21.96 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.699 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 15.4 m -104.28 114.3 28.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.878 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.47 150.69 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.327 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.563 HG22 ' HG2' ' B' ' 140' ' ' GLN . 3.3 p -125.21 158.25 34.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.895 176.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.05 58.74 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.686 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.527 ' O ' ' HA2' ' B' ' 139' ' ' GLY . 57.8 t -58.8 106.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.153 0.501 . . . . 0.0 110.195 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -94.85 -27.1 15.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.547 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 87.9 tttt -158.9 155.24 27.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.638 0.256 . . . . 0.0 110.624 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.22 126.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -92.21 -59.74 2.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.979 0.418 . . . . 0.0 110.908 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -141.23 139.18 33.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.272 -177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.494 ' HE1' HG13 ' B' ' 131' ' ' ILE . 84.1 t80 -114.13 105.52 13.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.349 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 13.0 t70 -133.79 136.24 26.22 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 42.7 Cg_exo -58.45 -16.01 27.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.672 2.248 . . . . 0.0 113.477 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -108.63 -6.73 15.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 44.5 tt0 -165.21 113.38 1.01 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 111.278 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.522 HG12 HD23 ' B' ' 129' ' ' LEU . 41.0 mm -103.88 125.32 58.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' B' ' 123' ' ' SER . 89.2 mt -102.14 107.18 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.055 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' B' ' 113' ' ' ILE . 96.1 mt -108.97 126.28 52.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 27.1 tt0 -87.25 104.65 16.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.2 t -94.5 -163.85 1.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.5 mt -52.44 93.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 61.68 21.24 12.0 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.058 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.65 160.76 28.61 Favored Glycine 0 C--O 1.225 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.107 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.07 125.34 73.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.199 0.5 . . . . 0.0 111.033 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' B' ' 152' ' ' TYR . 41.8 tp -95.99 126.19 41.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.793 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 42.2 t -101.44 106.24 17.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.82 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 57.6 mt -90.66 110.35 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.49 ' HE3' ' HB3' ' B' ' 149' ' ' ALA . 50.8 mtmt -105.44 125.55 51.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 176.07 -143.32 6.46 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.862 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.22 143.17 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 tttm 66.69 43.9 2.32 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.583 0.552 . . . . 0.0 110.647 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.522 HD23 HG12 ' B' ' 113' ' ' ILE . 9.7 mp -73.96 73.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.64 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.66 123.24 9.83 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.788 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' B' ' 108' ' ' PHE . 25.3 mm -97.42 -42.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 0.0 110.194 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 66.35 14.99 9.95 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.83 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -164.63 126.46 2.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.378 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.28 -9.62 32.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.087 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -77.63 140.27 39.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.038 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 42.4 tp -96.06 92.63 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -55.0 -48.65 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.834 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -176.03 -60.91 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.595 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 102' ' ' VAL . . . -172.9 46.15 0.17 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.666 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.563 ' HG2' HG22 ' B' ' 100' ' ' THR . 12.5 mt-30 -138.44 136.03 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.415 HG12 HG21 ' B' ' 102' ' ' VAL . 12.8 p -148.81 136.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.142 0.496 . . . . 0.0 111.083 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.51 113.98 21.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.273 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 19.3 m -109.49 151.93 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.44 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.79 139.3 46.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.97 -170.88 41.61 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 60.0 mt -95.57 79.97 3.42 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.693 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 29.1 pt -87.87 139.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.029 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.55 -33.47 9.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.904 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.49 ' HB3' ' HE3' ' B' ' 125' ' ' LYS . . . -161.13 151.07 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 112.14 -177.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.431 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 71.9 mt -118.97 132.21 56.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.346 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.793 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 58.7 t -109.72 111.47 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.873 0.368 . . . . 0.0 110.788 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.599 ' CD2' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -112.1 129.49 24.22 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.38 177.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -86.06 -171.69 0.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.769 2.313 . . . . 0.0 112.48 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 64.3 mt 67.7 13.98 9.38 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.735 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 135.73 48.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.305 0.574 . . . . 0.0 112.055 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -90.72 171.86 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.567 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -133.89 111.0 10.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.891 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -84.43 0.88 47.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 83.6 t60 63.98 89.0 0.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.966 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -168.02 142.81 3.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.852 178.099 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.857 0.361 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.94 125.63 5.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.501 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HA ' HG21 ' B' ' 118' ' ' ILE . 7.5 m120 -106.82 -39.4 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.3 ptm180 -88.76 137.81 31.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.791 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.55 149.05 43.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.099 -169.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.69 128.18 44.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD11 ' B' ' 97' ' ' LEU . 34.4 tp -115.7 115.81 26.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -113.71 122.3 46.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -131.65 142.23 49.8 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.778 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.6 p -113.76 150.79 32.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.873 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.1 39.95 6.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.921 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 70' ' ' VAL . 48.7 t -99.01 126.91 52.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.512 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.5 t -75.53 -51.44 12.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.91 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -172.93 170.95 4.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.101 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.47 117.13 46.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.214 0.531 . . . . 0.0 109.777 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -73.27 -59.2 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -125.74 117.5 23.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.561 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 50.5 t80 -107.11 106.25 16.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -130.34 139.78 36.66 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.92 -1.89 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.891 2.394 . . . . 0.0 113.748 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -131.97 1.95 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.26 -0.275 . . . . 0.0 111.507 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.14 102.67 1.12 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.147 0.498 . . . . 0.0 110.716 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.432 HG22 ' HG ' ' A' ' 44' ' ' LEU . 60.0 mt -107.22 117.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.996 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.1 mt -101.35 99.51 9.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.077 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 70' ' ' VAL . 94.2 mt -95.15 125.56 39.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.08 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -88.99 116.12 27.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.621 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -114.94 -172.59 2.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.177 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.5 mt -32.56 -58.95 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.3 1.04 . . . . 0.0 113.644 -169.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -139.29 24.76 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.496 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -158.52 177.93 34.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.563 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.86 126.93 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -96.37 119.84 35.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.661 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 10.8 m -95.87 103.98 15.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.035 0.445 . . . . 0.0 110.548 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.485 HG22 HD21 ' A' ' 58' ' ' LEU . 48.4 mt -101.23 117.01 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.708 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -128.21 153.38 46.99 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.296 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.47 -144.83 10.81 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.116 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 54.1 mm-40 -118.08 135.28 54.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.192 0.197 . . . . 0.0 110.943 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.29 45.88 10.82 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 HG22 ' A' ' 53' ' ' ILE . 9.7 mp -74.58 72.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.05 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.65 -168.49 36.8 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.402 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.7 mm 74.56 83.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 123.925 0.89 . . . . 0.0 110.608 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 20.0 pttp -100.75 77.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.792 0.806 . . . . 0.0 110.599 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.67 80.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.523 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.84 84.73 3.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 66' ' ' LYS . 9.1 p-10 -107.84 -41.94 4.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt 58.01 75.38 0.38 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.708 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG2' ' OD2' ' A' ' 64' ' ' ASP . 46.4 mmtm -66.17 -72.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.318 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.26 18.15 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.458 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.64 61.52 1.69 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.995 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -129.94 144.93 51.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG12 HG21 ' A' ' 31' ' ' VAL . 14.6 p -141.93 143.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.716 0.293 . . . . 0.0 110.416 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.51 106.04 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.007 0.432 . . . . 0.0 110.062 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.45 173.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -139.81 161.15 38.25 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.995 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.73 33.08 Favored Glycine 0 N--CA 1.439 -1.149 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.592 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 7.8 mt -95.61 76.4 3.28 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 pt -67.06 134.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.302 0.572 . . . . 0.0 111.034 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.37 -43.6 6.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.76 147.23 24.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.433 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.7 mt -116.27 117.81 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.661 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 57.4 t -114.42 118.77 59.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 111.348 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 4.3 t80 -122.27 104.99 37.17 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.76 162.71 26.8 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.682 2.254 . . . . 0.0 112.866 -175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.97 -34.02 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 73.81 -42.39 0.51 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 164.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -79.58 25.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -166.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -133.34 89.07 2.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 169.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 7.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -163.85 88.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.778 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -83.29 -27.22 29.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.412 0.625 . . . . 0.0 109.399 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 117.58 -1.2 . . . . 0.0 108.185 177.581 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -79.66 76.6 6.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.964 0.888 . . . . 0.0 110.953 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.17 -34.77 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.143 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.92 137.11 41.47 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -107.89 151.19 26.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.965 0.412 . . . . 0.0 110.945 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -104.29 112.28 25.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.075 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.506 ' HB3' ' CG1' ' B' ' 143' ' ' VAL . 55.7 tp -108.83 120.56 42.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.82 0.343 . . . . 0.0 110.219 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 19.0 m -108.14 115.63 30.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.217 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 tp -112.47 125.66 54.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.83 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 61.7 p -99.6 113.68 26.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.727 0.299 . . . . 0.0 111.623 -175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.83 49.01 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.131 -1.033 . . . . 0.0 112.868 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 115' ' ' LEU . 48.7 t -103.3 121.94 55.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -93.36 -39.3 11.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -141.7 142.91 33.34 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.085 -174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' B' ' 135' ' ' ASP . 4.4 p -102.65 111.94 34.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 169.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -74.0 -32.98 63.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -152.56 129.39 10.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.091 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.693 ' HE1' HG12 ' B' ' 131' ' ' ILE . 88.2 t80 -110.75 103.33 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.169 0.509 . . . . 0.0 110.402 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 27.7 t70 -135.23 135.95 23.63 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.17 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 26.7 Cg_exo -63.44 -1.42 3.12 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.89 2.393 . . . . 0.0 113.983 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.557 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 44.8 mmtm -111.76 -19.68 12.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 111.471 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 24.9 tp10 -159.27 116.72 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.57 127.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.602 0.239 . . . . 0.0 110.491 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.1 mt -104.74 101.75 11.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.621 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 102' ' ' VAL . 87.3 mt -94.73 124.73 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -89.26 105.85 18.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.7 t -123.47 -164.97 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.42 ' H ' HG13 ' B' ' 118' ' ' ILE . 47.3 mt -53.32 98.11 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.186 0.594 . . . . 0.0 112.461 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 56.84 26.79 12.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . 0.438 ' HA3' ' OH ' ' B' ' 152' ' ' TYR . . . -165.48 171.31 40.7 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.85 126.71 68.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.31 122.25 38.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.607 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 23.1 m -95.08 102.89 14.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.004 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.496 HG22 HD21 ' B' ' 129' ' ' LEU . 47.2 mt -93.28 112.28 26.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.09 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -105.42 136.86 44.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 165.47 -162.19 35.57 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.292 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.605 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 33.1 mt-10 -121.89 150.86 41.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.48 0.181 . . . . 0.0 110.849 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.605 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 11.6 mptt 63.68 29.54 14.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.496 HD21 HG22 ' B' ' 124' ' ' ILE . 6.2 mp -69.88 73.94 0.43 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.483 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -103.37 139.78 14.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.181 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.693 HG12 ' HE1' ' B' ' 108' ' ' PHE . 18.3 mm -88.05 32.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.798 0.809 . . . . 0.0 109.205 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? 70.05 -68.17 0.21 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.618 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -164.68 52.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' B' ' 137' ' ' LYS . 12.7 tp -174.61 177.21 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.691 ' HB2' HG11 ' B' ' 105' ' ' VAL . 25.6 p-10 -99.15 -52.71 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 112.02 17.48 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 166.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.571 ' HA ' HD23 ' B' ' 134' ' ' LEU . 13.2 tmtt? -53.87 -50.17 66.88 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.211 -168.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -165.99 42.92 0.07 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.09 -44.89 3.43 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -89.39 130.44 35.75 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.57 128.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.009 0.433 . . . . 0.0 111.305 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.09 106.99 17.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.087 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' B' ' 97' ' ' LEU . 7.1 p -102.53 132.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.067 0.46 . . . . 0.0 110.214 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.52 125.67 52.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.359 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.36 174.42 39.05 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.484 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.458 HD13 ' HD3' ' B' ' 128' ' ' LYS . 5.3 mp -91.52 87.83 6.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.627 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 30.4 pt -79.98 131.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.363 0.602 . . . . 0.0 111.621 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.472 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 14.9 m-20 -83.89 -39.82 19.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.36 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -164.06 154.29 14.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.413 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 89.2 mt -116.5 120.53 39.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 43.6 t -115.16 132.2 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.83 0.347 . . . . 0.0 111.041 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.44 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.7 t80 -129.01 116.88 19.04 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.78 112.08 1.16 Allowed 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.912 2.408 . . . . 0.0 112.428 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 tp -88.76 -38.87 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.357 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.51 86.26 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.03 -1.08 14.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.438 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -91.88 166.0 12.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -138.64 -177.99 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.304 -0.158 . . . . 0.0 110.71 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 107.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.414 0.446 . . . . 0.0 110.567 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -74.22 -25.52 59.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.111 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 40.1 t60 . . . . . 0 C--O 1.245 0.854 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.0 tpt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.065 0.46 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -95.96 62.22 2.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.677 0.751 . . . . 0.0 110.419 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -122.99 -28.77 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.726 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -72.21 117.45 13.86 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 120.834 0.349 . . . . 0.0 110.545 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.549 HE22 ' HB ' ' B' ' 117' ' ' THR . 88.9 mt-30 -105.87 163.93 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 49.1 t80 -121.42 126.93 50.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.922 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.75 125.46 52.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.919 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 33.0 t -118.47 110.55 17.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 31' ' ' VAL . 34.3 tp -110.45 124.57 52.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.757 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 48.6 m -112.43 99.04 7.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 -176.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.17 22.34 0.22 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.463 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 HD23 ' A' ' 28' ' ' LEU . 45.3 t -79.26 135.03 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -90.43 -51.45 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.37 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 33' ' ' LYS . 45.8 mtmt -145.86 165.46 28.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 111.529 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 44' ' ' LEU . 17.8 m -105.23 118.9 53.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.114 168.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -82.71 -41.44 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 110.712 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 43' ' ' LEU . 26.7 t -150.22 154.05 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -134.02 104.09 6.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.877 0.37 . . . . 0.0 110.24 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.6 m-20 -122.05 146.68 47.08 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ASP . 28.0 Cg_exo -62.12 -12.02 24.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -125.37 8.11 7.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.958 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 36.8 tt0 -165.69 105.32 0.71 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.932 0.396 . . . . 0.0 111.324 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 50.4 mm -105.57 123.3 59.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 36' ' ' SER . 84.2 mt -101.97 102.7 13.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 0.0 110.727 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 34' ' ' VAL . 85.5 mt -100.57 127.94 46.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.171 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.16 116.52 27.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -118.89 -162.58 0.91 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.696 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -41.81 92.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.012 0.925 . . . . 0.0 112.429 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 49.74 24.5 1.25 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.883 0.873 . . . . 0.0 112.244 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.9 -173.28 22.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.215 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.504 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 39.7 t -132.74 140.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 tp -110.9 123.53 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.89 107.55 19.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.26 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 53.0 mt -89.31 115.71 29.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -111.3 140.91 45.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA2' ' OD2' ' A' ' 77' ' ' ASP . . . 163.26 -152.19 22.15 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -132.43 146.25 51.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.026 0.413 . . . . 0.0 109.997 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.06 49.69 7.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.407 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 42' ' ' ILE . 10.1 mp -72.34 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.445 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.57 8.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.804 -0.634 . . . . 0.0 113.701 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.787 ' HB ' HG12 ' A' ' 72' ' ' VAL . 7.9 tt -133.03 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.978 0.894 . . . . 0.0 108.842 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -83.63 106.1 15.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.631 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 55.63 85.07 0.07 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.062 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.14 -54.23 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 62.2 -166.7 0.21 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.526 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.86 79.31 7.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.13 -73.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.004 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.68 89.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.148 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.22 -50.15 4.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.754 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 29' ' ' THR . 50.7 mt-30 -81.72 119.89 24.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.35 . . . . 0.0 111.425 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.02 119.1 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -126.1 120.41 30.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.787 HG12 ' HB ' ' A' ' 60' ' ' ILE . 27.7 m -127.67 150.91 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.575 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.4 138.77 47.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -168.01 40.26 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.026 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.15 74.7 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 28.2 pt -76.95 122.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 0.0 110.868 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.553 ' OD2' ' HA2' ' A' ' 55' ' ' GLY . 48.4 m-20 -87.76 -40.98 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.384 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.7 152.27 26.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.359 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.545 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 84.2 mt -116.06 113.96 23.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.2 t -109.66 112.38 40.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 110.898 -175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' HB3' ' H ' ' B' ' 150' ' ' LEU . 9.7 t80 -112.21 113.72 51.42 Favored Pre-proline 0 C--N 1.316 -0.853 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 57.3 Cg_exo -51.73 100.19 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 112.082 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.2 pt? -63.06 107.41 1.01 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.657 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -145.65 178.4 8.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -177.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.526 ' H ' ' CD ' ' A' ' 84' ' ' GLU . 21.8 p80 50.39 34.36 9.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.855 0.862 . . . . 0.0 112.062 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -121.43 166.46 14.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 179.12 -75.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -149.4 -60.12 0.21 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -160.93 -28.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m170 . . . . . 0 C--O 1.254 1.303 0 CA-C-N 114.2 -1.363 . . . . 0.0 108.012 167.016 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.723 0.297 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -93.47 138.94 31.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.484 HD22 HD22 ' B' ' 146' ' ' LEU . 3.8 p-10 -155.6 -34.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.703 -175.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.1 132.61 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.387 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' ' 29' ' ' THR . 14.2 tt0 -127.25 153.84 45.62 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.887 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.757 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 48.6 m-85 -101.67 115.78 31.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.729 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.8 tp -111.24 109.76 19.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.918 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.919 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 4.8 m -111.5 112.78 24.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.443 -178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.412 HD22 HD22 ' B' ' 122' ' ' LEU . 49.6 tp -106.67 127.82 53.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 20.9 m -114.41 109.83 18.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.091 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 29.08 0.68 Allowed Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.844 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.62 144.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.3 m -107.88 -39.76 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.06 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -168.31 165.14 13.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 p -105.5 137.3 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.791 0.329 . . . . 0.0 110.266 176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 45.3 mt-30 -90.49 -56.0 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.57 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.487 ' HB2' HD12 ' B' ' 114' ' ' LEU . 23.4 m -136.59 137.09 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' B' ' 113' ' ' ILE . 37.3 t80 -127.02 106.12 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.186 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.42 148.57 70.2 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 -17.99 51.43 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.695 2.263 . . . . 0.0 113.065 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -103.21 -15.23 16.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 43.6 tt0 -157.31 118.5 3.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.164 0.506 . . . . 0.0 111.591 -174.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.525 HG12 HD23 ' B' ' 129' ' ' LEU . 49.0 mm -109.13 123.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.599 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 107' ' ' SER . 94.9 mt -108.33 96.16 6.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.866 0.365 . . . . 0.0 110.445 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 93.7 mt -89.9 142.41 27.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 4.0 tm-20 -112.99 118.54 35.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.549 ' HB ' HE22 ' A' ' 24' ' ' GLN . 47.5 p -109.38 -174.34 2.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 20.1 pt -34.98 -43.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.063 0.945 . . . . 0.0 113.41 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -158.98 30.8 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.027 0.441 . . . . 0.0 110.228 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -148.93 172.22 29.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.743 -1.217 . . . . 0.0 113.133 -174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.438 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 31.8 t -125.72 139.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.164 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 66.2 tp -115.07 110.49 19.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.033 176.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -95.85 102.67 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.297 0.57 . . . . 0.0 110.241 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 41.3 mt -96.64 126.8 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.217 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -127.42 145.6 50.77 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 160.83 -142.42 8.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.578 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.695 ' HB3' ' HD2' ' B' ' 128' ' ' LYS . 45.2 mm-40 -123.92 136.51 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.626 0.251 . . . . 0.0 111.101 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' B' ' 127' ' ' GLU . 2.2 mptp? 54.03 51.4 14.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.74 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.525 HD23 HG12 ' B' ' 113' ' ' ILE . 7.1 mp -76.08 73.01 2.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.473 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.37 -121.44 0.61 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.01 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 3.5 mp 64.43 -73.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 123.326 0.65 . . . . 0.0 111.455 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -86.49 130.82 34.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.987 0.422 . . . . 0.0 111.328 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -171.07 164.86 7.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.027 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tt -148.9 -74.75 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -154.24 -175.15 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.556 HD13 ' O ' ' B' ' 136' ' ' LEU . 1.5 tm? -126.22 -26.26 3.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.639 0.199 . . . . 0.0 110.658 -177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.44 -30.8 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.74 0.305 . . . . 0.0 111.578 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.2 70.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.29 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 92.23 -6.66 78.53 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.282 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.558 ' HB2' HG23 ' B' ' 100' ' ' THR . 50.2 tt0 -123.54 138.81 54.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.328 . . . . 0.0 110.636 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.43 136.32 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' B' ' 98' ' ' SER . 9.1 mp0 -106.38 118.55 36.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.08 146.05 18.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 110.463 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -119.92 139.58 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 174.68 -179.35 46.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.538 -1.315 . . . . 0.0 112.963 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.484 HD22 HD22 ' B' ' 93' ' ' ASN . 12.6 mt -95.02 89.09 5.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.27 118.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.527 0.68 . . . . 0.0 111.775 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.51 -43.46 12.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.76 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -156.08 164.25 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.905 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 96.1 mt -138.09 116.95 12.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.044 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.434 ' O ' ' HD3' ' B' ' 153' ' ' PRO . 61.9 t -119.61 119.36 60.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.545 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.545 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 2.5 t80 -108.58 98.59 29.17 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 12.3 Cg_exo -71.4 119.28 6.15 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.891 2.394 . . . . 0.0 111.881 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 48.9 tp -138.62 -73.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 150.89 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.657 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -131.12 88.84 2.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -82.68 85.74 6.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.967 -173.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 45.8 t60 64.05 -88.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.15 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -155.97 179.31 9.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -87.11 158.73 19.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.811 177.497 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.833 0.349 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.78 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 24.2 t70 -154.01 176.54 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -61.99 -25.75 67.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.78 ' HG2' ' HB3' ' A' ' 21' ' ' ASP . 15.6 ptp180 -69.53 108.26 3.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 109.63 174.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.566 HE21 ' HA3' ' B' ' 101' ' ' GLY . 51.8 mt-30 -109.35 172.97 6.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.609 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -105.97 112.92 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.005 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -109.94 119.0 37.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.741 0.305 . . . . 0.0 110.384 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 23.3 m -122.27 121.43 36.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.235 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 97' ' ' LEU . 34.5 tp -133.66 138.25 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 -176.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.9 p -106.85 161.13 14.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.371 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.8 9.11 53.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.15 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.1 119.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -91.55 -30.53 16.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -165.15 148.73 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.983 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.82 123.36 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 7.2 mm100 -81.74 -55.99 4.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.921 -176.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -147.47 127.28 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -104.6 104.44 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.162 0.506 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.0 m-20 -132.63 138.91 33.1 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.572 175.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 15.6 Cg_exo -69.2 9.25 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.863 2.375 . . . . 0.0 112.166 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.2 mmtt -118.43 -16.16 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 9.6 tp10 -175.38 114.19 0.14 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.84 -173.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.593 HG22 ' HG ' ' A' ' 44' ' ' LEU . 58.2 mt -114.1 122.31 67.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.062 0.458 . . . . 0.0 110.478 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 35' ' ' GLN . 97.3 mt -102.29 105.13 15.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.2 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.593 ' HG ' HG22 ' A' ' 42' ' ' ILE . 94.9 mt -112.2 118.04 34.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.712 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 38.8 tt0 -88.76 112.47 23.22 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.542 0.687 . . . . 0.0 110.238 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -92.72 -161.43 0.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.379 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.706 HG21 HD22 ' B' ' 93' ' ' ASN . 11.2 mm -50.97 90.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 57.83 27.46 14.57 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.384 0.674 . . . . 0.0 111.536 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.61 4.98 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.693 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.54 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -95.82 127.09 48.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.226 0.513 . . . . 0.0 110.626 -176.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.9 tp -96.59 122.27 39.33 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.523 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 33.5 t -101.44 113.36 26.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 23.9 mt -109.92 109.64 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.34 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 2.2 tmmt? -105.1 139.55 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.882 0.372 . . . . 0.0 110.409 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 172.0 -151.74 15.6 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.89 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.08 150.99 41.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.475 0.179 . . . . 0.0 110.767 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.64 30.09 19.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.43 0.633 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 39' ' ' PRO . 11.5 tp -79.35 72.65 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.623 -1.172 . . . . 0.0 111.184 -175.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.98 128.99 9.7 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.79 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 15.6 tt -79.69 149.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.627 0.251 . . . . 0.0 110.722 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 73' ' ' GLU . 34.5 mtpt -103.03 -69.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -86.24 102.75 14.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.167 0.508 . . . . 0.0 109.691 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -96.23 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.158 -177.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.55 120.87 23.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.912 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.3 -64.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.5 tttm 62.92 -76.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 O-C-N 124.09 0.869 . . . . 0.0 111.786 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.1 2.3 6.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.082 0.468 . . . . 0.0 110.526 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.9 40.77 4.54 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.141 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.33 116.26 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 27' ' ' SER . 8.6 p -108.26 136.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.498 -176.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.44 112.22 16.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.858 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.5 144.79 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.76 0.314 . . . . 0.0 111.145 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 61' ' ' LYS . 67.4 mt-10 -111.95 154.22 25.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 142.88 179.29 19.5 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.527 170.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 22' ' ' ASN . 61.2 mt -79.6 86.6 5.22 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.929 -0.396 . . . . 0.0 109.929 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.0 pt -77.01 121.05 28.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.269 0.556 . . . . 0.0 110.182 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.75 -44.66 4.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.859 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 54' ' ' LYS . . . -136.23 135.35 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.173 0.511 . . . . 0.0 111.857 -176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 4.5 mm? -115.96 119.11 34.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.776 173.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 52' ' ' SER . 57.8 t -125.96 126.45 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 6.2 t80 -125.54 102.04 29.94 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 73.2 Cg_endo -81.03 126.7 5.8 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.628 2.219 . . . . 0.0 111.646 174.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 86.4 mt -69.63 114.68 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 9.4 mm-40 69.15 145.9 0.05 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.095 0.872 . . . . 0.0 112.555 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -66.35 111.47 3.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 164.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -48.84 -72.21 0.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.584 0.553 . . . . 0.0 109.655 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 49.06 32.51 4.03 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.867 0.729 . . . . 0.0 112.455 165.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -83.29 -27.44 29.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -116.42 136.17 53.22 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.363 -0.827 . . . . 0.0 109.787 179.311 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.484 0.183 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.69 -172.4 0.15 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.634 0.731 . . . . 0.0 112.756 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.706 HD22 HG21 ' A' ' 47' ' ' ILE . 11.2 t-20 -166.35 -30.91 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.524 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -76.05 99.56 4.65 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.768 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 93' ' ' ASN . 14.7 mt-30 -97.54 149.75 21.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.011 0.434 . . . . 0.0 111.383 -170.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.22 115.08 29.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.845 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 28' ' ' LEU . 51.1 tp -108.37 109.41 20.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.993 0.425 . . . . 0.0 110.491 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 42.0 m -106.15 111.7 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.909 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.0 tp -118.45 126.54 52.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.418 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 140' ' ' GLN . 28.2 m -108.19 113.32 26.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.566 ' HA3' HE21 ' A' ' 24' ' ' GLN . . . 136.49 8.86 1.44 Allowed Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.105 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.55 129.59 36.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -89.77 -44.02 10.27 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.929 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -166.52 172.26 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.762 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 115' ' ' LEU . 29.0 m -104.58 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -93.89 -54.0 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.265 0.555 . . . . 0.0 109.657 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -138.34 121.86 17.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.266 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -110.68 104.57 13.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -133.68 140.26 36.17 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.484 ' O ' ' HA ' ' B' ' 127' ' ' GLU . 50.2 Cg_exo -55.15 -18.33 17.47 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 113.581 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 23.8 mmtp -91.98 -21.96 20.25 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 37.4 tt0 -166.37 112.77 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.139 0.495 . . . . 0.0 110.411 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.52 119.86 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.207 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.17 99.93 11.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.153 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.47 HD23 HG12 ' B' ' 105' ' ' VAL . 90.5 mt -93.83 124.54 37.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.855 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -88.45 107.94 19.13 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.0 t -119.15 145.26 46.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 46.4 mm 51.0 -85.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 123.509 0.505 . . . . 0.0 111.094 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -155.36 43.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -151.48 -179.89 27.55 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.513 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 25.9 t -122.18 128.89 75.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 117.06 0.43 . . . . 0.0 111.207 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 63.6 tp -105.68 117.81 34.98 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 11.1 m -94.61 104.7 16.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 62.2 mt -91.92 109.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -103.35 143.79 32.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.174 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' B' ' 111' ' ' LYS . . . 155.05 -143.31 9.79 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 110' ' ' PRO . 13.6 pt-20 -161.02 170.4 20.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm 63.26 26.93 15.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.048 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.3 73.96 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.07 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.97 119.24 5.88 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.655 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.685 HG12 HD23 ' B' ' 134' ' ' LEU . 7.6 tp -101.63 -26.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp 68.48 -64.38 0.31 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.103 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -129.18 120.96 26.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.685 HD23 HG12 ' B' ' 131' ' ' ILE . 60.1 mt -84.08 102.87 12.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -158.01 128.99 6.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.023 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 83.0 mt -90.54 100.38 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.37 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -78.32 91.04 4.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.107 0.479 . . . . 0.0 110.65 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.57 11.32 3.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.501 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 114.64 -7.57 22.25 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.324 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' B' ' 100' ' ' THR . 35.5 tt0 -92.46 127.74 38.06 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.391 -0.476 . . . . 0.0 110.542 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 14.0 p -134.5 140.24 46.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -122.64 116.65 24.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.605 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.599 HG22 HD13 ' B' ' 131' ' ' ILE . 42.8 t -118.16 131.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.171 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -114.88 125.23 53.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.876 0.369 . . . . 0.0 110.403 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -177.53 -177.55 46.46 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.985 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.499 HD22 ' OD1' ' B' ' 93' ' ' ASN . 44.9 mt -85.74 90.37 8.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.37 115.21 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.449 0.642 . . . . 0.0 110.84 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.33 -48.87 18.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -157.8 148.38 20.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.727 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.491 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 94.8 mt -116.09 114.34 24.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.23 128.96 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.473 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 4.9 t80 -118.23 113.12 37.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 63.0 Cg_exo -52.35 127.97 25.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.038 2.492 . . . . 0.0 112.674 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.58 -171.14 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.776 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -76.91 -13.29 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -70.75 122.96 20.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -65.97 169.45 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.97 -173.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -48.25 -44.01 32.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.455 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -67.77 93.56 0.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -121.01 13.07 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.153 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.543 -0.741 . . . . 0.0 109.866 175.182 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 65.61 -90.0 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.793 0.683 . . . . 0.0 110.973 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.551 ' HA ' HD12 ' B' ' 118' ' ' ILE . 5.1 m120 -151.08 -173.46 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 73.99 140.46 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.883 0.739 . . . . 0.0 111.507 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 15.3 mm-40 -124.02 143.36 50.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.1 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.49 112.95 25.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 172.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD13 ' B' ' 99' ' ' LEU . 59.5 tp -119.07 132.99 56.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 0.0 110.849 -175.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -128.22 141.46 51.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.098 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 46' ' ' THR . 22.1 tp -136.33 152.21 50.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' B' ' 96' ' ' PHE . 7.7 m -125.38 149.5 48.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.59 0.233 . . . . 0.0 110.92 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.74 10.96 54.81 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.91 125.58 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.286 0.565 . . . . 0.0 111.314 -175.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 t -83.7 -52.92 6.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.059 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -168.09 172.74 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.219 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 44' ' ' LEU . 29.8 m -95.9 135.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.098 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 10.8 mm100 -81.68 -57.4 3.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.444 0.64 . . . . 0.0 109.287 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 36.5 m -132.8 116.18 16.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.099 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -101.44 104.3 15.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -131.07 146.6 62.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.669 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.96 -17.36 43.98 Favored 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.86 2.373 . . . . 0.0 112.587 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.567 ' NZ ' ' HB3' ' A' ' 40' ' ' LYS . 8.7 mtpm? -108.94 -6.14 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.1 tt0 -169.24 123.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.0 111.199 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.409 HD12 HG11 ' A' ' 72' ' ' VAL . 67.5 mt -119.74 114.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.343 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 52' ' ' SER . 97.2 mt -91.21 114.09 26.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.93 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.584 HD13 HG11 ' A' ' 70' ' ' VAL . 95.6 mt -102.91 123.66 46.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.684 -175.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -90.48 100.76 13.54 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.509 HG21 HD21 ' A' ' 28' ' ' LEU . 9.9 t -124.84 147.09 48.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.938 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mm 43.27 -86.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.809 0.844 . . . . 0.0 113.148 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.687 HE21 ' HA ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -141.12 13.35 2.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.581 -178.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.76 156.9 26.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.704 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.4 t -105.92 124.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.308 . . . . 0.0 110.199 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 81' ' ' TYR . 44.1 tp -95.99 126.77 41.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.618 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 16.0 m -98.66 101.38 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.336 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 63.2 mt -91.12 110.54 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OE1' ' A' ' 41' ' ' GLU . 63.5 mttm -105.34 146.32 29.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.62 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.26 -138.33 5.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.425 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -158.64 152.79 23.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 59.16 43.29 17.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.419 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.93 73.38 2.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.982 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.31 143.7 36.25 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.438 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.645 HG23 ' H ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -85.37 -48.35 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.486 -175.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.645 ' HD2' ' HG2' ' A' ' 73' ' ' GLU . 99.0 mttt 49.46 25.97 1.52 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.645 ' H ' HG23 ' A' ' 60' ' ' ILE . 20.6 t60 -149.03 153.7 38.25 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.38 75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.725 0.298 . . . . 0.0 110.864 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 45.88 -107.58 0.15 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.871 -1.059 . . . . 0.0 113.146 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.28 -31.26 5.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.824 0.345 . . . . 0.0 110.504 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.0 tttp 70.81 -73.25 0.1 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.798 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.95 -60.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.7 0.286 . . . . 0.0 111.18 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.55 32.92 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.161 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -129.63 160.25 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.796 0.332 . . . . 0.0 110.64 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 44' ' ' LEU . 9.1 p -138.47 138.67 42.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -138.45 107.03 5.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 HD12 ' A' ' 42' ' ' ILE . 63.3 t -131.3 144.72 36.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.461 -174.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.645 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -128.62 169.86 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.89 -164.73 24.97 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.477 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.14 82.66 5.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.776 0.322 . . . . 0.0 110.394 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -76.89 131.58 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.187 0.517 . . . . 0.0 110.162 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -94.84 -43.77 8.06 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.989 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -157.3 158.23 35.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.002 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 93.9 mt -127.01 138.61 53.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 60.1 t -134.66 127.9 50.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.026 0.441 . . . . 0.0 112.141 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 51' ' ' LEU . 2.9 m-85 -119.42 123.67 28.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.379 167.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.87 -54.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.629 2.219 . . . . 0.0 111.414 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER 57.08 69.35 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.317 178.165 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 69.99 146.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.874 0.845 . . . . 0.0 112.556 169.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -80.99 52.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.381 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -83.09 -1.19 52.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.579 0.704 . . . . 0.0 109.914 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.43 136.94 38.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.502 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -89.02 -22.34 23.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 109.878 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -86.32 135.54 33.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.964 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.311 175.085 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 64.6 mtm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.98 44.02 28.93 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.71 -175.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.85 -22.59 66.55 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.921 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' B' ' 145' ' ' GLY . 35.9 mtt180 -69.64 99.81 1.37 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.619 170.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' B' ' 144' ' ' GLU . 69.0 mt-30 -89.92 154.55 19.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.411 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 95.2 m-85 -96.61 112.74 24.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 48.1 tp -111.42 109.13 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 141' ' ' VAL . 34.2 p -118.14 119.88 36.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 122' ' ' LEU . 48.2 tp -125.03 148.53 48.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.956 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 21.9 p -98.87 -173.37 2.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' B' ' 117' ' ' THR . . . 69.35 13.79 68.18 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.346 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.484 HG21 HG12 ' B' ' 141' ' ' VAL . 42.6 t -72.7 111.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.21 0.528 . . . . 0.0 110.108 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -95.58 -33.96 12.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.93 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' B' ' 116' ' ' GLU . 19.0 ptpt -168.53 162.41 12.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.018 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.57 118.73 53.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.997 0.427 . . . . 0.0 109.986 172.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.2 -41.44 63.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.5 t -150.94 127.16 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.75 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -115.37 105.14 12.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.221 0.534 . . . . 0.0 111.178 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' B' ' 111' ' ' LYS . 2.6 m-20 -126.56 150.45 70.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.576 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 28.8 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.158 2.572 . . . . 0.0 112.273 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 109' ' ' ASP . 18.6 ptpt -157.94 -34.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.605 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 13.1 tp10 -137.42 117.24 13.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.712 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.433 HD12 HD23 ' B' ' 129' ' ' LEU . 62.8 mt -123.81 121.77 63.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.846 0.355 . . . . 0.0 110.658 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 71.4 mt -101.01 100.61 11.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.205 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' B' ' 113' ' ' ILE . 93.3 mt -95.43 122.16 37.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.424 ' HB3' ' HG2' ' B' ' 104' ' ' LYS . 33.0 tt0 -90.41 122.74 33.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 49.3 p -121.74 -179.07 3.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.633 -171.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 22' ' ' ASN . 21.8 pt -33.15 -48.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.826 1.251 . . . . 0.0 114.209 -174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.447 ' N ' HG13 ' B' ' 118' ' ' ILE . 29.7 tt0 -155.71 49.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.52 171.74 39.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.321 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -124.04 130.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.461 HD22 HD22 ' B' ' 99' ' ' LEU . 59.4 tp -97.2 123.74 41.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.59 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.875 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 47.4 t -98.59 104.46 16.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.731 176.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.552 ' HA ' HD13 ' B' ' 150' ' ' LEU . 38.3 mt -93.08 110.96 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.444 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 64.3 mttm -111.53 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.832 -177.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.549 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 176.1 -139.34 4.55 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -162.09 161.04 28.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 61.72 38.5 15.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.234 0.54 . . . . 0.0 110.228 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.433 HD23 HD12 ' B' ' 113' ' ' ILE . 8.1 mp -71.49 73.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.17 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.82 115.2 6.5 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.03 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 6.7 tp -92.06 121.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.958 0.409 . . . . 0.0 110.194 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -82.64 -23.96 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -145.26 127.73 16.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.34 -24.94 57.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.758 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -80.94 153.88 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.051 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.02 -54.47 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tptp 58.72 103.59 0.02 OUTLIER 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.26 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 67.34 -55.64 0.46 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.999 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 141.03 41.24 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.233 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.36 149.73 31.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.484 HG12 HG21 ' B' ' 102' ' ' VAL . 9.3 p -141.52 134.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.988 0.423 . . . . 0.0 111.227 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.66 114.71 27.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.387 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.84 149.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.497 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 95' ' ' GLN . 2.7 pp20? -130.34 130.18 44.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.086 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' B' ' 94' ' ' ARG . . . 173.15 -171.15 44.26 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.057 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 70.2 mt -86.88 97.96 10.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 21.7 pt -97.29 125.38 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.046 0.45 . . . . 0.0 111.191 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.549 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 13.3 m-20 -89.08 -51.97 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.352 178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -145.22 143.5 30.31 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.163 0.506 . . . . 0.0 111.771 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' B' ' 124' ' ' ILE . 3.9 mm? -118.99 117.3 28.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.0 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.875 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 60.1 t -109.67 124.99 66.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.031 0.443 . . . . 0.0 111.531 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.624 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -122.89 131.48 24.36 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -49.31 122.55 8.76 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.031 2.487 . . . . 0.0 112.616 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.98 -39.32 91.78 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -127.96 146.28 50.7 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -98.82 112.28 24.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 110.785 -172.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -66.03 145.47 55.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.879 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -55.75 113.43 1.47 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.925 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -89.12 -30.41 18.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -173.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -122.31 -43.5 2.3 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.293 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.996 -1.002 . . . . 0.0 108.998 177.302 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -83.52 101.95 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.871 0.843 . . . . 0.0 110.236 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -158.89 -37.08 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.19 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 10.6 ptm180 -65.62 141.27 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.179 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -120.18 148.74 43.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -173.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.5 112.84 24.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.635 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.1 tp -104.6 111.36 24.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.098 0.475 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 14.9 t -113.25 127.58 56.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.56 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 51' ' ' LEU . 37.0 tp -141.08 152.52 44.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -120.67 153.32 37.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.41 23.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.958 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 60.7 t -83.56 120.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t -75.01 -45.26 43.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 11.5 ptpt -163.91 161.12 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.698 -177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.0 t -100.35 118.85 47.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -74.36 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.121 0.486 . . . . 0.0 110.244 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 p -137.74 122.84 19.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.427 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -102.04 104.44 15.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 12.5 t70 -132.49 133.58 23.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.95 -9.5 10.02 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.009 2.473 . . . . 0.0 113.948 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -111.03 -16.26 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.324 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 30.6 tt0 -163.27 104.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.073 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.27 123.14 59.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.395 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -101.17 101.55 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.025 0.44 . . . . 0.0 110.265 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.89 113.23 25.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.32 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 50' ' ' VAL . 37.4 tt0 -76.44 102.3 5.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -100.24 172.35 7.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.371 -173.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 93' ' ' ASN . 0.9 OUTLIER -56.08 109.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 70.1 -4.68 1.46 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.866 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -157.67 136.15 4.7 Favored Glycine 0 C--O 1.219 -0.804 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.935 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 45' ' ' GLU . 49.0 t -88.59 126.9 41.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.929 0.365 . . . . 0.0 110.382 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD22 HD22 ' A' ' 28' ' ' LEU . 54.8 tp -93.2 119.45 32.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.259 0.552 . . . . 0.0 110.095 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.976 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.4 m -101.67 109.68 21.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.104 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 58' ' ' LEU . 34.3 mt -102.2 111.29 31.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.15 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -109.77 138.57 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 173.09 -138.67 4.78 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.958 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 tt0 -151.18 140.79 21.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 56' ' ' GLU . 1.5 mppt? 65.96 31.69 8.99 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.822 0.449 . . . . 0.0 111.713 -178.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 53' ' ' ILE . 7.7 mp -72.22 75.26 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.744 0.418 . . . . 0.0 111.837 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.9 169.87 14.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.566 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.786 HG23 ' H ' ' A' ' 61' ' ' LYS . 1.4 tt -148.75 -75.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.661 0.267 . . . . 0.0 110.725 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.786 ' H ' HG23 ' A' ' 60' ' ' ILE . 62.8 tttm -178.85 135.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.97 98.66 9.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.981 0.42 . . . . 0.0 111.232 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -147.35 -80.56 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -173.53 -179.78 1.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.74 0.75 55.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.017 0.437 . . . . 0.0 110.459 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? 67.61 -85.21 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.63 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.14 16.92 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.593 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 101.71 4.23 52.18 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.162 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -108.48 121.16 44.38 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.97 138.52 52.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -125.67 105.26 8.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.29 137.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.1 148.03 36.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.75 175.46 37.59 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.01 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 23' ' ' ARG . 4.7 mp -95.76 90.49 5.68 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 pt -69.79 139.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.303 -171.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.22 -41.4 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' B' ' 154' ' ' LEU . . . -164.68 153.7 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.47 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD21 ' B' ' 122' ' ' LEU . 74.2 mt -116.34 128.29 55.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.976 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 71.4 t -117.34 116.23 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.01 0.433 . . . . 0.0 110.929 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.03 109.57 19.99 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 175.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.53 110.07 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.935 2.423 . . . . 0.0 112.334 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.882 ' HB3' ' HB2' ' B' ' 149' ' ' ALA . 0.4 OUTLIER -81.48 91.62 6.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.739 -178.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -141.22 88.62 2.17 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.763 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -139.72 97.42 3.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.8 t60 66.81 88.27 0.11 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.691 0.619 . . . . 0.0 110.304 -172.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 0.5 OUTLIER -83.34 117.59 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.432 -178.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 46.0 t60 178.42 -17.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.782 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 68.92 7.25 6.08 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.823 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.309 177.608 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.3 114.62 11.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.865 0.364 . . . . 0.0 110.517 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.721 ' HA ' HD12 ' A' ' 47' ' ' ILE . 37.2 m-80 -102.86 12.76 35.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.403 -177.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 94' ' ' ARG . 36.8 mtp-105 -80.16 107.28 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -101.59 142.59 32.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.35 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 83.9 m-85 -97.76 116.45 29.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.8 tp -112.45 112.76 24.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 32.4 t -112.7 135.07 53.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.761 176.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 tp -142.77 149.67 39.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.949 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.494 HG22 ' HB3' ' B' ' 140' ' ' GLN . 49.8 p -116.94 170.64 8.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.662 0.267 . . . . 0.0 110.543 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.33 16.74 73.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.839 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.551 HG21 HG12 ' B' ' 141' ' ' VAL . 38.4 t -74.51 115.7 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.274 0.559 . . . . 0.0 110.455 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -83.06 -38.18 22.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.182 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' B' ' 105' ' ' VAL . 9.5 ttmm -165.92 161.86 17.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' B' ' 104' ' ' LYS . 7.5 m -104.3 104.83 17.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' B' ' 114' ' ' LEU . 77.7 mt-30 -74.77 -49.85 19.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.31 -171.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -123.68 129.38 51.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -121.15 102.84 8.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.481 0.658 . . . . 0.0 110.524 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -133.86 142.57 44.05 Favored Pre-proline 0 C--N 1.316 -0.889 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.94 -23.67 9.32 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.562 2.175 . . . . 0.0 113.458 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.34 0.73 12.29 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -157.67 121.27 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.39 128.81 48.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.095 0.474 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' B' ' 123' ' ' SER . 88.8 mt -101.67 107.44 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.316 176.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.0 110.99 22.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.661 0.267 . . . . 0.0 110.485 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.36 114.04 13.44 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.1 t -122.14 -176.72 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.767 0.318 . . . . 0.0 110.305 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.72 117.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.98 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 71.32 7.54 6.11 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.037 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.68 -174.1 38.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.756 -1.211 . . . . 0.0 113.253 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 138.28 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.64 HD22 ' HD2' ' B' ' 152' ' ' TYR . 0.1 OUTLIER -96.06 105.45 17.49 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.951 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 33.4 t -86.84 101.54 13.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.45 HG22 HD21 ' B' ' 129' ' ' LEU . 32.4 mt -97.91 114.43 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -113.69 134.86 54.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 174.24 -137.59 4.05 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -151.39 149.42 29.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.029 0.414 . . . . 0.0 110.597 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 63.62 41.8 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.731 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.45 HD21 HG22 ' B' ' 124' ' ' ILE . 11.0 mp -76.42 72.74 3.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.763 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.3 122.51 11.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.366 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.735 ' HA ' HG12 ' B' ' 143' ' ' VAL . 42.0 pt -88.78 27.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.736 0.303 . . . . 0.0 111.411 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 67.33 -85.72 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.851 -174.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -150.74 -74.99 0.15 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.257 0.223 . . . . 0.0 110.56 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tt -176.16 123.1 0.18 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -142.32 -91.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.017 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 136' ' ' LEU . 27.5 tp 61.77 21.61 12.35 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.8 0.44 . . . . 0.0 111.241 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -63.51 -51.7 64.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.27 11.19 39.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.459 . . . . 0.0 110.976 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.54 36.69 53.96 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.68 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' B' ' 100' ' ' THR . 20.5 pt20 -138.1 149.37 45.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.551 HG12 HG21 ' B' ' 102' ' ' VAL . 14.4 p -132.0 147.06 32.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.402 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -131.85 106.73 8.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' B' ' 131' ' ' ILE . 32.7 m -111.85 158.62 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.81 -175.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -137.13 127.26 26.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.237 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.68 -167.59 39.11 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.72 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.66 99.02 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.406 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 21.2 pt -93.6 150.89 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.138 -175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.87 -45.09 2.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.928 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.882 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . . . -140.83 145.47 36.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.965 0.412 . . . . 0.0 111.708 -176.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 98.6 mt -122.42 116.05 23.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.951 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 48.9 t -109.09 121.86 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.743 0.306 . . . . 0.0 110.848 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.64 ' HD2' HD22 ' B' ' 122' ' ' LEU . 30.7 t80 -123.37 120.14 27.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' B' ' 152' ' ' TYR . 12.2 Cg_endo -56.62 107.87 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.77 2.314 . . . . 0.0 111.781 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' B' ' 156' ' ' HIS . 55.0 tp -68.13 -42.65 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.717 -174.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 156' ' ' HIS . 38.6 tt0 71.63 -25.96 0.17 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.261 0.624 . . . . 0.0 111.703 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' B' ' 154' ' ' LEU . 11.9 m170 75.48 -62.63 0.44 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.728 0.811 . . . . 0.0 111.67 176.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -157.47 156.82 32.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.357 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' B' ' 159' ' ' HIS . 6.7 t-160 -82.05 53.94 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.015 -170.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' B' ' 158' ' ' HIS . 38.9 t60 174.16 89.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -128.89 101.1 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.904 0.383 . . . . 0.0 111.798 -172.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.569 170.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 mtm . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -161.37 89.72 0.78 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB3' HD12 ' A' ' 75' ' ' LEU . 27.8 t-20 -175.64 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.844 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 53.0 mtt180 -56.77 106.84 0.34 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.21 168.85 9.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.687 ' HB3' ' HB ' ' B' ' 100' ' ' THR . 32.0 t80 -123.2 122.02 37.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.088 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD11 HD11 ' B' ' 97' ' ' LEU . 55.6 tp -123.82 126.14 45.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' B' ' 98' ' ' SER . 28.9 t -121.33 117.67 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 46' ' ' THR . 33.0 tp -112.85 125.9 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.222 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 69' ' ' GLN . 21.1 m -109.65 113.13 25.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.72 34.85 0.16 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.905 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 46' ' ' THR . 45.3 t -99.39 125.11 53.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -100.16 -13.01 19.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -178.56 152.51 0.65 Allowed 'General case' 0 C--O 1.224 -0.265 0 O-C-N 123.127 0.267 . . . . 0.0 110.505 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.97 133.69 48.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -91.01 -60.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 m -134.1 133.99 41.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.878 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -114.26 105.2 12.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.926 0.393 . . . . 0.0 110.432 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 16.9 t70 -126.47 135.52 27.35 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.14 -18.75 18.55 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.079 2.519 . . . . 0.0 113.874 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 62.0 mttp -111.37 -5.3 14.65 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 29.7 tt0 -168.05 109.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 110.979 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.3 mt -106.64 132.42 53.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.542 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.6 mt -102.74 106.39 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.027 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.11 124.48 47.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -88.41 100.65 13.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.547 HG21 HD21 ' A' ' 28' ' ' LEU . 34.4 p -99.89 -172.75 2.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.0 mt -53.01 96.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.602 0.564 . . . . 0.0 111.674 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 53.41 41.05 32.15 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.636 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.21 147.69 10.96 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.614 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -109.94 121.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.212 0.506 . . . . 0.0 111.013 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 81' ' ' TYR . 49.6 tp -96.83 122.03 39.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.456 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -98.91 107.83 20.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.606 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 37.3 mt -101.57 113.18 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.369 -178.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 8.3 mtpm? -101.28 148.55 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.678 ' HA3' ' HA ' ' A' ' 76' ' ' ILE . . . 169.91 -165.87 39.17 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 25.3 mt-10 -121.82 134.21 54.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.146 0.473 . . . . 0.0 109.751 172.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp 54.93 66.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.939 0.775 . . . . 0.0 111.174 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mp -80.19 72.51 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.075 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.5 114.48 6.84 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.665 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG22 HG12 ' A' ' 72' ' ' VAL . 40.4 pt -84.42 -18.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.0 111.592 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 67.27 -57.47 0.43 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -128.38 141.96 51.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -91.86 -83.93 0.28 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.26 -151.87 0.31 Allowed 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.858 0.723 . . . . 0.0 111.32 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -168.65 -76.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 54.22 -95.62 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.805 0.691 . . . . 0.0 112.194 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.75 -14.03 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.12 0.486 . . . . 0.0 110.939 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.2 26.93 10.55 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.381 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 29' ' ' THR . 6.5 pt20 -104.93 128.86 53.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.228 0.537 . . . . 0.0 110.521 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.3 p -127.51 143.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.537 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HB2' ' HE1' ' A' ' 25' ' ' PHE . 17.7 pt-20 -122.21 140.81 52.15 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG12 HG22 ' A' ' 60' ' ' ILE . 19.3 m -134.2 136.11 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.483 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.75 133.22 44.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.986 0.422 . . . . 0.0 109.982 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 166.59 -164.28 37.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.849 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 56' ' ' GLU . 3.0 mm? -88.8 71.05 8.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.678 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 12.7 pt -67.38 143.19 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.647 0.737 . . . . 0.0 112.454 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.731 ' HB3' HD22 ' B' ' 154' ' ' LEU . 67.8 m-20 -92.85 -59.48 2.04 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.658 177.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' B' ' 154' ' ' LEU . . . -161.68 155.44 21.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.807 -171.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 4.1 mm? -115.46 118.3 32.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.59 176.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.42 121.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -174.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 51' ' ' LEU . 31.7 m-85 -102.91 161.5 22.97 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 164.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 87' ' ' HIS . 26.2 Cg_exo -61.43 92.57 0.11 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 121.751 1.634 . . . . 0.0 111.578 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.27 103.62 0.41 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.155 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.44 37.67 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.462 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 73.09 -6.66 1.66 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.76 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -78.94 73.49 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.736 0.303 . . . . 0.0 110.846 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 82' ' ' PRO . 11.8 t-80 -176.21 -28.51 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.725 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -126.67 120.09 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.703 -0.399 . . . . 0.0 112.003 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.9 t60 59.51 73.36 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.196 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.513 172.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.648 -0.13 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.444 ' OD1' ' HG3' ' B' ' 94' ' ' ARG . 3.0 t70 69.08 -176.21 0.2 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.041 0.838 . . . . 0.0 110.64 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.621 HD22 ' N ' ' B' ' 93' ' ' ASN . 0.0 OUTLIER -172.75 25.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.439 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.459 ' HG2' HD11 ' B' ' 146' ' ' LEU . 21.5 mtp180 -84.53 136.14 33.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 110.436 176.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -119.81 146.41 45.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.28 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -107.5 125.87 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.435 HD11 HD11 ' A' ' 26' ' ' LEU . 36.2 tp -117.01 114.68 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.093 0.473 . . . . 0.0 110.612 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 27' ' ' SER . 12.9 m -114.45 111.03 20.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.586 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 26' ' ' LEU . 49.8 tp -112.7 127.18 56.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.218 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 25' ' ' PHE . 87.6 m -117.66 126.06 51.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.516 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.46 17.81 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.899 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.53 131.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -89.02 -36.47 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -163.56 165.77 23.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 m -104.16 132.3 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 172.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -85.7 -50.77 6.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 53.5 m -152.53 135.52 15.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.185 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -132.85 103.58 6.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.454 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.66 159.61 70.76 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 168.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' B' ' 129' ' ' LEU . 14.5 Cg_exo -70.44 12.47 0.39 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.906 2.404 . . . . 0.0 114.525 -174.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -122.26 -23.19 5.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.731 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.408 ' OE1' ' HG2' ' B' ' 125' ' ' LYS . 12.6 tp10 -155.95 122.64 5.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.862 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.9 mt -119.72 123.25 70.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.496 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 95.8 mt -108.94 102.65 11.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.11 177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -98.38 129.11 45.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.408 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.81 103.13 14.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 28.7 p -90.14 -172.05 3.34 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.904 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.27 103.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 65.2 24.14 12.3 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.019 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.43 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.052 -1.071 . . . . 0.0 112.822 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.21 123.29 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.526 HD11 HD12 ' B' ' 150' ' ' LEU . 50.3 tp -99.85 122.81 43.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 110.514 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.838 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 36.0 t -98.89 117.71 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.128 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.81 110.83 30.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.892 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.408 ' HG2' ' OE1' ' B' ' 112' ' ' GLU . 25.8 mtmt -104.08 130.41 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.938 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.56 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 173.39 -159.28 29.23 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.338 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.667 ' HG2' ' HG3' ' B' ' 128' ' ' LYS . 20.4 tt0 -130.04 144.41 51.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.667 ' HG3' ' HG2' ' B' ' 127' ' ' GLU . 62.0 mttp 67.18 30.41 7.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.905 0.482 . . . . 0.0 110.742 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.0 mp -75.39 73.21 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.579 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -138.24 176.65 20.62 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.518 -0.848 . . . . 0.0 111.963 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.699 HG23 ' H ' ' B' ' 132' ' ' LYS . 4.4 tp -172.04 -71.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.699 ' H ' HG23 ' B' ' 131' ' ' ILE . 3.9 ttmp? -116.0 -37.68 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.098 -0.376 . . . . 0.0 111.784 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' B' ' 132' ' ' LYS . 36.8 m80 73.33 13.1 4.69 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.214 0.531 . . . . 0.0 110.214 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 36.9 tp -155.56 40.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 136' ' ' LEU . 7.6 m-20 -79.07 -165.57 0.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.524 -173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' B' ' 136' ' ' LEU . 13.6 mt 66.28 32.19 7.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 -172.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -52.24 -41.41 62.75 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.658 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -157.02 70.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.84 46.07 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.651 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' B' ' 100' ' ' THR . 27.5 mt-30 -122.39 138.96 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.726 -0.279 . . . . 0.0 110.549 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.44 111.98 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.968 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -109.75 105.14 14.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.95 146.88 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.912 0.387 . . . . 0.0 110.515 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -123.96 147.82 47.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.045 0.45 . . . . 0.0 110.294 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.34 -161.52 34.58 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.655 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' B' ' 128' ' ' LYS . 5.4 mp -118.81 91.45 3.56 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.296 0.569 . . . . 0.0 109.716 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.56 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 26.8 pt -81.84 151.68 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.559 -173.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.423 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 22.1 m-20 -110.41 -42.7 4.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.245 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -155.1 154.74 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.225 0.536 . . . . 0.0 111.815 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.526 HD12 HD11 ' B' ' 122' ' ' LEU . 4.1 mm? -115.81 130.78 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.105 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.838 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 45.2 t -120.37 112.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.1 t80 -131.61 104.01 14.62 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.63 110.38 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.84 2.36 . . . . 0.0 111.693 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 77' ' ' ASP . 30.7 tp -85.29 -52.87 5.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 156' ' ' HIS . 41.8 tt0 -115.94 132.23 56.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.538 -173.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' B' ' 155' ' ' GLU . 23.3 p80 -68.56 -179.99 1.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.08 171.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -59.91 126.64 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.354 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -101.65 142.0 33.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.463 -176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -87.66 61.38 6.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.891 0.377 . . . . 0.0 110.888 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 67.34 -172.13 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.595 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 41.6 m80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.818 -0.61 . . . . 0.0 109.857 -175.094 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.467 0.175 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -80.87 89.43 5.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 110.432 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 75' ' ' LEU . 21.7 t-20 -155.3 -115.3 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 33.9 mtp180 48.83 71.42 0.37 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.716 0.77 . . . . 0.0 110.864 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.73 HE22 ' HA3' ' B' ' 101' ' ' GLY . 9.9 mm100 -95.73 157.71 15.77 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.963 -174.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -110.44 111.4 22.65 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -100.48 106.4 17.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 14.8 m -113.64 110.45 20.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.935 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.16 126.28 51.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.451 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 69' ' ' GLN . 27.1 m -103.86 113.08 26.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.024 176.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' ' 95' ' ' GLN . . . 137.01 33.68 0.22 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.793 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HD22 ' A' ' 44' ' ' LEU . 48.9 t -104.94 130.38 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 t -102.79 -29.8 11.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.575 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -159.44 159.15 33.27 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.822 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.77 120.45 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.428 HE22 HG22 ' A' ' 50' ' ' VAL . 80.1 mt-30 -84.79 -57.28 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.62 0.248 . . . . 0.0 110.549 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 43' ' ' LEU . 47.4 m -126.83 128.97 47.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.15 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -116.28 106.07 13.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.024 0.44 . . . . 0.0 110.735 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -132.68 141.5 41.35 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 -16.06 33.39 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.156 1.904 . . . . 0.0 112.767 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -114.11 -7.36 13.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.556 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -161.88 149.9 14.88 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.47 0.652 . . . . 0.0 111.855 169.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG12 HD23 ' A' ' 58' ' ' LEU . 32.0 mm -133.25 131.61 58.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.057 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 52' ' ' SER . 37.6 mt -104.64 101.82 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 96.9 mt -91.74 128.52 37.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.279 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.24 104.39 16.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.794 ' HB ' HE22 ' B' ' 95' ' ' GLN . 35.8 p -95.52 -171.11 2.3 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.828 -175.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.2 96.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.277 . . . . 0.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 67.63 20.89 9.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.888 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.3 20.31 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.477 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 16.6 t -136.49 153.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 44.7 tp -130.84 119.68 22.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.673 0.273 . . . . 0.0 110.424 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.751 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 2.5 m -99.71 122.72 43.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 30.1 mm -114.18 118.91 59.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.185 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 34.3 mtmt -100.87 146.28 27.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 -150.8 21.91 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.383 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HG3' ' HB2' ' A' ' 75' ' ' LEU . 7.9 pt-20 -149.79 148.07 28.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' A' ' 75' ' ' LEU . 5.8 mptt 60.53 44.29 11.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD23 HG12 ' A' ' 42' ' ' ILE . 8.6 mp -74.59 72.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.19 104.4 2.88 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.685 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.781 HG22 HG22 ' A' ' 72' ' ' VAL . 42.5 pt -69.76 152.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 110.518 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -95.58 -55.7 2.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.721 0.296 . . . . 0.0 111.089 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.25 101.71 14.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.081 0.467 . . . . 0.0 111.527 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.9 tp -83.54 -28.45 28.6 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -95.7 114.43 26.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.61 95.08 6.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 110.858 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -81.16 -13.53 58.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.244 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.46 -112.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.795 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.41 21.79 2.05 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.4 pt20 -99.87 129.62 45.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.417 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -127.51 118.37 49.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.443 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -106.36 118.63 37.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.859 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.781 HG22 HG22 ' A' ' 60' ' ' ILE . 23.6 t -117.67 126.49 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.846 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -116.85 157.97 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.144 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 23' ' ' ARG . . . 141.74 -163.25 26.94 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD13 ' HD3' ' A' ' 57' ' ' LYS . 5.4 mp -95.62 83.92 3.85 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.2 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 pt -77.95 138.5 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.456 0.646 . . . . 0.0 110.633 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -94.4 -64.81 1.03 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.904 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -143.44 153.76 42.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.006 0.431 . . . . 0.0 111.0 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 53.6 mt -118.55 118.36 31.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.37 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.751 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.6 t -112.49 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.176 0.513 . . . . 0.0 110.948 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' B' ' 150' ' ' LEU . 1.3 t80 -109.17 119.17 49.35 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 84.6 Cg_exo -46.58 104.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.066 2.511 . . . . 0.0 112.897 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.7 pt? -80.74 21.15 0.69 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.786 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -84.33 21.65 1.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.937 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.69 -38.48 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -127.17 139.81 52.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -73.39 135.05 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.941 0.4 . . . . 0.0 110.96 -175.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.45 147.44 52.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.515 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 55.6 t60 -64.51 -54.45 32.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 174.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 6.8 t60 . . . . . 0 C--O 1.245 0.832 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.724 171.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.38 65.38 1.44 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.581 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -123.49 -27.25 4.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.852 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.478 ' HA ' HD23 ' B' ' 146' ' ' LEU . 44.8 mtt180 -66.65 127.35 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.794 HE22 ' HB ' ' A' ' 46' ' ' THR . 65.8 mt-30 -105.59 139.38 40.28 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.735 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' B' ' 144' ' ' GLU . 9.3 m-85 -106.82 118.05 35.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.277 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 59.0 tp -112.48 123.68 50.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.788 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 7.4 t -113.63 116.47 29.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' B' ' 122' ' ' LEU . 19.3 tp -120.28 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -108.19 167.04 10.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.73 ' HA3' HE22 ' A' ' 24' ' ' GLN . . . 76.35 18.68 79.03 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.228 173.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 30.4 t -79.95 107.81 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.972 0.415 . . . . 0.0 109.888 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.0 t -98.01 -26.34 14.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.561 ' HB3' ' HB3' ' B' ' 116' ' ' GLU . 86.7 tttt -149.48 138.27 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.066 0.46 . . . . 0.0 111.343 -176.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.478 HG13 HD11 ' B' ' 136' ' ' LEU . 8.2 m -99.17 108.44 22.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.213 0.53 . . . . 0.0 109.986 173.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.7 -29.96 36.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.197 0.522 . . . . 0.0 110.36 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t -166.31 135.88 3.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.889 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -127.91 104.53 7.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' B' ' 112' ' ' GLU . 2.1 m-20 -132.26 149.25 72.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.91 0.98 3.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.955 2.436 . . . . 0.0 112.909 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -125.42 -27.0 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.785 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 34.5 tt0 -156.66 114.67 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.93 0.395 . . . . 0.0 110.393 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' B' ' 124' ' ' ILE . 60.7 mt -107.93 137.09 41.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 123' ' ' SER . 81.4 mt -120.33 100.4 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.943 0.401 . . . . 0.0 110.122 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.539 HD13 HG11 ' B' ' 141' ' ' VAL . 82.9 mt -105.08 121.62 44.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.407 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' B' ' 104' ' ' LYS . 29.5 tt0 -88.22 116.27 26.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.169 0.509 . . . . 0.0 109.674 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 47.0 p -105.09 -178.5 3.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.491 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 69.8 mt -31.83 -61.25 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.447 1.092 . . . . 0.0 113.416 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.88 40.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.155 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.62 167.11 40.1 Favored Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.7 136.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.279 0.539 . . . . 0.0 111.004 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' B' ' 99' ' ' LEU . 4.2 mm? -95.27 111.61 23.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.146 177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.665 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 25.9 t -96.42 100.29 11.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 54.9 mt -95.59 111.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.954 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -100.91 143.04 31.54 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' B' ' 148' ' ' ASP . . . 164.13 -158.99 31.76 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.495 -1.335 . . . . 0.0 113.759 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -134.03 137.49 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.488 . . . . 0.0 110.746 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' B' ' 128' ' ' LYS . 3.7 ttmp? 65.34 39.5 5.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.523 0.678 . . . . 0.0 110.954 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.513 HD21 HG22 ' B' ' 124' ' ' ILE . 8.7 mp -75.95 73.84 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.75 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . 0.458 ' O ' ' HB ' ' B' ' 131' ' ' ILE . . . -98.55 169.22 23.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' B' ' 130' ' ' GLY . 53.8 mt 78.28 111.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.893 0.854 . . . . 0.0 111.468 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -101.09 154.75 18.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.083 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -82.84 44.52 0.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.23 -84.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.286 0.634 . . . . 0.0 110.923 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -149.69 163.27 38.39 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.478 HD11 HG13 ' B' ' 105' ' ' VAL . 82.0 mt -78.3 75.33 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 110.75 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -3.38 46.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.889 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -155.06 -88.79 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.962 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -171.18 16.23 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.998 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -105.01 119.69 39.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.067 0.433 . . . . 0.0 110.544 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.539 HG11 HD13 ' B' ' 115' ' ' LEU . 9.9 p -111.18 148.67 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -147.65 106.31 3.81 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.26 148.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.286 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' B' ' 96' ' ' PHE . 16.3 mt-10 -121.13 125.58 47.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -176.45 -173.31 41.96 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.558 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 94' ' ' ARG . 38.4 mt -97.1 87.68 4.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.441 HD11 ' OE1' ' B' ' 95' ' ' GLN . 19.1 pt -73.51 124.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.672 0.748 . . . . 0.0 111.354 -177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.444 ' HB2' ' HA2' ' B' ' 126' ' ' GLY . 18.8 t70 -83.4 -41.45 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.887 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -160.29 164.34 32.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.117 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . 94.1 mt -138.05 115.45 11.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 55.5 t -112.52 112.52 40.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.49 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 6.8 t80 -125.42 98.26 35.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 152' ' ' TYR . 3.7 Cg_endo -86.2 101.79 0.64 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.206 2.604 . . . . 0.0 113.473 -173.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' B' ' 158' ' ' HIS . 29.0 tp -138.09 152.45 48.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 170.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -169.87 167.96 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -176.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -75.56 1.34 14.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 111.453 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -153.07 139.83 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . 0.416 ' NE2' HD12 ' B' ' 154' ' ' LEU . 54.4 m80 -115.8 168.42 10.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.229 0.538 . . . . 0.0 112.179 -174.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -151.55 178.13 9.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.946 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -80.39 -172.51 3.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.891 0.377 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 47.6 m80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.843 -179.356 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 16.6 m-20 -94.55 -155.01 0.44 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 14.9 m120 75.74 -12.34 1.0 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.764 0.826 . . . . 0.0 110.997 -176.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -80.25 113.92 18.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 HE22 ' HB ' ' B' ' 117' ' ' THR . 98.9 mt-30 -119.49 152.99 36.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 47.4 m-85 -98.43 113.77 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.349 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD12 ' B' ' 99' ' ' LEU . 57.4 tp -111.04 129.53 55.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 29.1 m -130.52 124.36 31.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.05 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -127.24 137.36 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.055 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -107.05 166.4 10.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.805 0.336 . . . . 0.0 110.684 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.38 0.71 79.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.499 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG21 HG12 ' A' ' 70' ' ' VAL . 49.1 t -68.38 116.56 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.828 0.347 . . . . 0.0 110.4 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 m -92.47 -30.04 15.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -163.5 143.38 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.44 114.01 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.187 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -72.22 -43.62 64.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -148.47 133.95 18.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -124.59 104.84 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.55 143.05 47.14 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.316 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -14.56 4.86 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 123.2 2.6 . . . . 0.0 114.534 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 80.2 mttt -125.06 -0.76 7.8 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -160.79 131.9 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.226 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.5 mt -136.18 127.33 43.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 -176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.47 100.75 10.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.25 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 70' ' ' VAL . 78.7 mt -94.9 128.52 41.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.376 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.15 110.1 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -125.21 149.17 48.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.242 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mt 44.3 -91.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.517 0.727 . . . . 0.0 112.626 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -141.46 20.42 2.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.838 0.351 . . . . 0.0 110.499 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 169.53 23.68 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.952 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.605 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 19.6 t -115.53 148.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD13 ' HD2' ' A' ' 81' ' ' TYR . 62.3 tp -125.1 118.57 26.43 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -98.63 119.36 37.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.951 0.405 . . . . 0.0 110.223 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 16.1 mm -102.12 110.13 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.953 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -108.38 138.01 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.894 0.378 . . . . 0.0 111.241 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.68 -141.8 7.38 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.587 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 8.8 pt-20 -150.86 149.12 29.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.772 0.32 . . . . 0.0 110.56 175.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 61.4 mttm 64.0 38.83 8.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.081 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 53' ' ' ILE . 7.4 mp -74.26 71.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.916 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.616 ' O ' HG12 ' A' ' 60' ' ' ILE . . . -112.09 113.89 3.41 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.978 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 HG12 ' O ' ' A' ' 59' ' ' GLY . 10.5 mm -162.54 103.97 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 162.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -83.98 100.85 11.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.33 0.586 . . . . 0.0 109.711 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -74.5 -1.03 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.35 -175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.0 mt 69.77 -84.57 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.925 0.765 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -120.14 163.0 18.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.7 tp -81.8 102.05 10.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.47 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -61.3 -65.15 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.378 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.24 -57.98 0.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.78 72.12 0.13 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.07 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -153.88 157.7 39.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.695 -0.297 . . . . 0.0 110.486 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 44' ' ' LEU . 13.3 p -143.98 140.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.079 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -126.45 139.16 53.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.441 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.522 ' HA ' ' HB ' ' A' ' 60' ' ' ILE . 15.4 m -142.95 139.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.184 0.302 . . . . 0.0 110.314 175.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -125.82 125.44 42.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 157.14 -157.23 27.89 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.825 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.51 92.89 8.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 pt -89.67 111.33 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.424 0.631 . . . . 0.0 109.87 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.8 -38.02 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.058 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.593 ' HA ' ' HB3' ' B' ' 152' ' ' TYR . . . -153.61 138.17 16.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.493 . . . . 0.0 111.447 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.561 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 25.9 mt -118.84 113.63 21.39 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 174.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.89 129.03 76.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CB ' ' H ' ' B' ' 150' ' ' LEU . 21.1 t80 -108.12 98.02 24.48 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.605 ' HG2' ' HB ' ' A' ' 50' ' ' VAL . 53.1 Cg_endo -73.29 110.95 3.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.1 1.867 . . . . 0.0 111.001 169.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.1 -64.05 1.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 41.7 mt-10 52.33 -156.87 0.15 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.186 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.4 m80 70.67 -53.75 0.66 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.69 0.396 . . . . 0.0 110.803 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -98.83 19.82 14.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 74.3 m-70 67.3 -101.67 0.06 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.312 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -178.4 148.08 0.45 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.6 0.238 . . . . 0.0 111.407 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.2 m170 67.37 24.36 8.95 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.511 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 m80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.304 174.029 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.732 0.301 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -142.98 155.18 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.728 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' B' ' 146' ' ' LEU . 6.0 t-20 -156.83 -40.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 172.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -74.16 109.54 7.74 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 169.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.23 143.41 27.35 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.03 0.443 . . . . 0.0 110.51 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.58 112.7 25.87 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.906 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.648 ' HB3' HG22 ' B' ' 143' ' ' VAL . 54.6 tp -102.02 106.67 17.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.983 0.42 . . . . 0.0 110.003 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 46.4 t -107.79 118.1 35.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.827 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.502 HD12 HD13 ' A' ' 26' ' ' LEU . 8.6 tt -129.51 130.66 46.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.197 0.522 . . . . 0.0 110.029 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 24.8 m -108.12 105.62 15.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.745 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.23 34.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.135 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' B' ' 117' ' ' THR . 48.2 t -102.0 131.15 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 14.3 t -91.98 -31.96 15.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.735 0.302 . . . . 0.0 110.726 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -172.01 164.12 6.17 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.75 124.87 59.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.818 0.342 . . . . 0.0 110.271 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' B' ' 116' ' ' GLU . 78.5 mt-30 -75.61 -52.25 10.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.891 0.377 . . . . 0.0 110.541 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.1 m -148.03 117.4 6.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -105.51 114.38 28.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -130.7 152.98 81.41 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.86 32.91 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.298 2.665 . . . . 0.0 113.61 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' B' ' 129' ' ' LEU . 16.1 ptpt -166.07 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.802 ' HG2' ' HG2' ' B' ' 125' ' ' LYS . 1.0 OUTLIER -137.47 119.72 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 59.9 mt -122.53 118.78 56.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -174.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.84 101.98 13.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' B' ' 122' ' ' LEU . 97.1 mt -92.65 133.59 35.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.37 178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.577 ' HB2' ' HG3' ' B' ' 106' ' ' GLN . 2.9 tm-20 -99.94 101.55 12.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 102' ' ' VAL . 35.7 p -92.48 -166.14 1.48 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 15.7 mt -63.64 90.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.569 0.223 . . . . 0.0 110.873 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.38 24.15 14.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.406 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.86 -178.86 17.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.524 HG23 HD12 ' B' ' 154' ' ' LEU . 42.2 t -138.27 144.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 115' ' ' LEU . 52.1 tp -122.74 115.45 22.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.503 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 41.1 t -99.0 117.25 33.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 21.7 mt -109.64 110.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.666 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.802 ' HG2' ' HG2' ' B' ' 112' ' ' GLU . 51.3 mtmt -110.6 130.98 55.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.28 . . . . 0.0 111.136 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . -175.9 -149.32 7.39 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -130.44 134.76 47.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt 58.05 71.42 0.58 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.536 0.684 . . . . 0.0 110.746 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' B' ' 111' ' ' LYS . 10.2 mp -101.33 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.381 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.33 168.74 53.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.605 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.424 HG22 ' HA ' ' B' ' 143' ' ' VAL . 2.5 pp -138.72 157.05 29.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 122.446 -0.444 . . . . 0.0 111.369 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -74.6 131.88 41.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -68.74 103.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.185 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 84.6 mt -133.13 147.29 52.11 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.916 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.58 152.37 19.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.33 101.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 110.697 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -87.72 -80.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.62 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.82 -36.97 3.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.437 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.78 25.96 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.271 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.54 130.95 52.44 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.51 151.64 24.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 35.4 tt0 -139.29 122.43 16.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' B' ' 97' ' ' LEU . 26.8 m -102.69 147.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.364 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -128.95 125.01 36.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.129 -175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.92 -163.57 33.28 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 118.875 -1.631 . . . . 0.0 114.058 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' B' ' 93' ' ' ASN . 41.7 mt -94.44 73.98 3.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.365 -0.417 . . . . 0.0 110.715 -175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.579 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 37.3 pt -71.62 151.85 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.888 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -117.12 -48.96 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . . . . . . . . . . . -144.67 147.47 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.16 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.565 HD21 HD12 ' B' ' 147' ' ' ILE . 4.1 mm? -116.11 137.99 51.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 52.0 t -135.55 115.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.318 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.593 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 1.3 t80 -108.56 97.64 24.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.446 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 3.4 Cg_exo -81.94 178.22 6.64 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.847 2.364 . . . . 0.0 112.511 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.524 HD12 HG23 ' B' ' 121' ' ' VAL . 76.9 mt 71.96 -139.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.714 177.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.54 ' HG2' ' H ' ' B' ' 156' ' ' HIS . 19.1 tt0 179.95 -177.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -165.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . 0.54 ' H ' ' HG2' ' B' ' 155' ' ' GLU . 10.7 m170 -68.49 68.94 0.15 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 164.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -76.52 114.15 14.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.856 -167.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -67.63 129.34 39.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.418 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -103.22 125.77 50.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -175.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.57 115.29 6.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.805 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.251 1.157 0 O-C-N 124.072 0.857 . . . . 0.0 110.371 -178.65 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.761 0.315 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.37 -5.61 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.1 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 t30 70.21 10.16 7.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.713 0.768 . . . . 0.0 109.531 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -89.75 143.33 26.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.877 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' OE1' HD11 ' A' ' 76' ' ' ILE . 71.8 mt-30 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.72 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 75.5 m-85 -109.9 115.87 30.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.7 tp -112.06 106.9 15.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.626 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' B' ' 98' ' ' SER . 16.1 m -105.17 113.73 27.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.713 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.5 tp -113.65 146.58 39.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.038 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.574 ' HB ' ' HB2' ' B' ' 96' ' ' PHE . 68.1 m -132.09 112.66 12.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.645 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.55 -11.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.71 129.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.942 0.401 . . . . 0.0 110.73 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 m -94.31 -35.96 12.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.825 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -163.99 151.27 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.609 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 44' ' ' LEU . 19.7 m -96.98 127.97 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.889 0.376 . . . . 0.0 110.432 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -87.65 -21.41 25.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.926 0.393 . . . . 0.0 111.177 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -164.06 122.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -109.01 103.01 11.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 0.0 110.337 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 40' ' ' LYS . 7.2 m-20 -134.29 138.57 30.61 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.675 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 58' ' ' LEU . 20.6 Cg_exo -67.52 12.26 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 174.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 40.9 ttmt -120.9 -25.04 5.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.111 0.481 . . . . 0.0 110.084 175.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 35.8 tt0 -164.54 114.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 -176.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.512 HG13 HD23 ' A' ' 58' ' ' LEU . 68.1 mt -111.25 123.76 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.11 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.6 mt -98.23 105.94 18.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 34' ' ' VAL . 87.4 mt -97.58 109.2 22.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.11 102.44 11.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -125.15 149.1 48.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.537 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm 53.43 -88.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.622 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -143.9 12.89 1.66 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.151 0.501 . . . . 0.0 110.198 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.06 -171.05 12.4 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.084 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 42.8 t -127.81 126.82 67.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.731 0.301 . . . . 0.0 110.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.92 120.18 39.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.503 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 13.1 m -99.46 111.25 23.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.824 0.345 . . . . 0.0 110.655 -177.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 12.5 mm -94.81 115.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -114.57 136.22 53.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.569 -174.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 166.11 -148.1 13.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.738 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -135.14 150.9 50.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 mttp 59.42 30.14 19.79 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.917 0.865 . . . . 0.0 109.826 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 42' ' ' ILE . 14.0 tp -75.8 73.74 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.528 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.95 161.17 19.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.856 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.34 143.15 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 57.3 tttm -54.76 -76.82 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 O-C-N 123.4 0.438 . . . . 0.0 110.058 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 7.7 t60 177.55 67.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -152.82 136.87 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -88.77 160.29 17.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 tt -86.43 107.0 17.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -139.71 -32.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.18 -15.05 15.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.988 0.423 . . . . 0.0 110.365 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.82 -4.9 29.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.654 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 29' ' ' THR . 19.2 mt-30 -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -148.35 131.98 8.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -116.69 115.54 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.35 135.14 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.117 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.29 138.56 50.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.072 0.463 . . . . 0.0 110.809 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 159.03 -159.78 30.63 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.071 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -91.68 89.0 6.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.573 HD11 ' OE1' ' A' ' 24' ' ' GLN . 27.0 pt -78.61 117.92 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.421 0.629 . . . . 0.0 109.985 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -84.66 -39.3 18.77 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.065 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.06 156.85 20.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.85 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 80.9 mt -115.92 120.46 39.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 47.7 t -116.56 129.28 73.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.834 0.349 . . . . 0.0 111.241 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -118.22 103.91 48.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 32.6 Cg_endo -65.79 80.87 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.913 2.409 . . . . 0.0 113.748 -176.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' B' ' 149' ' ' ALA . 81.0 mt -125.63 45.54 2.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.515 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.24 121.12 12.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.184 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.733 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 175.44 -165.72 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.187 0.929 . . . . 0.0 109.786 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -65.55 -15.52 62.78 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -117.47 116.33 26.94 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.249 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -100.08 -8.93 23.17 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.651 177.69 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 68.72 149.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.427 0.632 . . . . 0.0 111.291 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.448 ' HB3' HD23 ' B' ' 146' ' ' LEU . 6.5 t30 -110.62 1.74 18.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' B' ' 146' ' ' LEU . 6.7 ptp85 -93.95 157.04 16.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.79 148.53 51.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.981 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 87.2 m-85 -97.22 112.94 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.9 tp -106.96 117.99 35.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 1.026 ' HB2' ' HB2' ' A' ' 27' ' ' SER . 12.9 m -112.72 111.09 21.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.598 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 39.4 tp -112.37 126.31 55.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 25' ' ' PHE . 20.0 m -120.37 126.48 50.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.4 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.46 13.91 5.07 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.622 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 68.4 t -80.72 136.84 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.831 0.348 . . . . 0.0 110.204 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 9.0 p -92.57 -34.16 14.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.29 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -166.23 154.08 10.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.303 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.422 HG23 HD23 ' B' ' 115' ' ' LEU . 7.2 p -99.12 134.97 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.83 -59.11 2.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.437 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.1 t -142.03 136.44 30.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.802 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -117.01 104.99 11.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.025 0.44 . . . . 0.0 111.036 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 5.0 m-20 -128.01 137.32 30.55 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.475 173.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 109' ' ' ASP . 35.4 Cg_exo -63.7 -1.92 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.933 2.422 . . . . 0.0 112.947 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.12 -21.34 12.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 111.054 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.687 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.5 tt0 -166.63 115.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 110.513 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' B' ' 129' ' ' LEU . 61.1 mt -100.99 125.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.055 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -101.21 100.61 11.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.281 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.422 HD23 HG23 ' B' ' 105' ' ' VAL . 96.1 mt -100.67 131.94 46.32 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.122 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -94.73 126.99 40.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.039 0.447 . . . . 0.0 109.802 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 30.1 p -105.44 -175.19 2.72 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.43 ' H ' HG13 ' B' ' 118' ' ' ILE . 46.4 mt -31.5 -63.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 124.558 1.161 . . . . 0.0 112.26 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -138.77 32.8 2.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.402 . . . . 0.0 110.363 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.12 -176.72 22.64 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.291 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.613 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 42.5 t -133.47 138.86 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' B' ' 152' ' ' TYR . 54.8 tp -114.74 118.63 34.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 17.6 m -96.59 110.43 22.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.91 0.386 . . . . 0.0 110.344 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.687 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 8.2 mm -89.27 109.88 20.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -100.87 140.23 35.45 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 166.33 -147.63 12.4 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.06 146.92 27.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.664 0.269 . . . . 0.0 110.421 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 tttm 59.48 38.03 22.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.833 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.424 ' HA ' ' HA3' ' B' ' 145' ' ' GLY . 9.9 mp -75.52 72.19 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.467 174.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -112.67 -169.72 17.8 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.028 -175.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.3 85.99 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.999 0.904 . . . . 0.0 110.259 -175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -149.51 96.29 2.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.487 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -127.18 13.91 7.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.116 0.484 . . . . 0.0 110.999 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' B' ' 137' ' ' LYS . 88.7 mt -92.52 -14.26 28.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.45 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 64.04 -80.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.951 -174.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 38.0 tp -161.89 -54.63 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.937 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 134' ' ' LEU . 8.3 mtpm? 61.54 -98.41 0.08 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.088 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.28 14.12 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.014 0.435 . . . . 0.0 110.861 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.56 37.05 14.85 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.3 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.471 ' HB2' HG23 ' B' ' 100' ' ' THR . 8.2 tt0 -140.74 118.62 11.79 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.31 143.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.448 ' HG2' ' OG ' ' B' ' 98' ' ' SER . 43.9 mt-10 -108.49 118.43 36.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.795 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.11 146.76 31.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.11 132.12 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.481 0.658 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 129' ' ' LEU . . . -168.81 166.58 39.76 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.741 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.591 ' HA ' ' HA ' ' B' ' 94' ' ' ARG . 6.5 mp -84.0 83.75 7.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.648 HD12 HD21 ' B' ' 150' ' ' LEU . 17.7 pt -76.7 132.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.606 0.717 . . . . 0.0 111.491 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -89.12 -51.04 5.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.13 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' A' ' 83' ' ' LEU . . . -149.44 153.74 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.934 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.648 HD21 HD12 ' B' ' 147' ' ' ILE . 4.6 mm? -114.96 113.61 24.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.51 112.59 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.021 0.438 . . . . 0.0 110.923 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 25.8 t80 -113.1 98.06 44.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 59.2 Cg_endo -75.7 101.62 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.31 2.006 . . . . 0.0 111.959 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.703 ' HG ' ' H ' ' B' ' 155' ' ' GLU . 21.9 tp -91.37 178.26 6.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.541 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . 0.703 ' H ' ' HG ' ' B' ' 154' ' ' LEU . 37.0 tt0 -55.98 129.11 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.567 0.542 . . . . 0.0 110.369 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -76.49 92.33 3.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.657 -169.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -115.93 -80.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -145.68 166.78 24.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -84.36 -41.49 16.69 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 173.88 -34.32 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-N 113.513 -1.676 . . . . 0.0 107.819 166.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.56 0.219 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.694 ' O ' HD13 ' B' ' 118' ' ' ILE . 5.0 t0 -151.46 154.57 36.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' HB2' HD22 ' A' ' 75' ' ' LEU . 29.8 m-80 -103.13 -0.09 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.944 0.402 . . . . 0.0 111.281 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 75' ' ' LEU . 63.6 mtt85 -75.01 99.75 3.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 74.0 mt-30 -108.08 152.38 24.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.743 -177.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.71 112.24 25.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 60.9 tp -107.57 114.58 28.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.895 0.379 . . . . 0.0 110.501 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' B' ' 98' ' ' SER . 8.5 t -119.46 115.88 24.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD13 HD13 ' B' ' 97' ' ' LEU . 30.5 tp -133.19 132.27 41.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.662 -177.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.5 p -94.11 179.1 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.539 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.37 37.19 59.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.347 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -99.53 130.87 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 110.068 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -95.16 -46.42 6.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.242 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.59 150.47 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 111.115 -176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.07 111.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -49.36 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 0.0 111.222 -175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 t -124.39 118.95 27.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' HE1' HG23 ' A' ' 60' ' ' ILE . 87.8 t80 -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.172 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 10.6 m-20 -134.62 150.01 72.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.922 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.93 -3.35 13.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.201 1.934 . . . . 0.0 112.015 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 3.8 mmmp? -117.86 -25.78 6.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.925 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 80.6 tt0 -158.92 114.47 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.818 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.83 128.97 65.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.06 108.43 19.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' VAL . 93.6 mt -97.21 125.2 41.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.81 112.67 17.32 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.5 p -106.16 178.24 4.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.849 -0.159 . . . . 0.0 110.615 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -38.46 -53.31 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 0.0 112.943 -173.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -139.83 36.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.25 -165.41 28.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.777 -1.201 . . . . 0.0 112.932 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.81 126.03 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 44' ' ' LEU . 57.1 tp -96.58 117.79 31.7 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.787 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 9.7 m -98.85 109.43 22.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.255 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 57.7 mt -99.32 114.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -104.14 149.09 25.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.425 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.02 24.46 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 12.2 pt-20 -145.64 150.38 36.22 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.671 -0.311 . . . . 0.0 110.726 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 62.6 mttm 53.03 52.89 12.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.93 -172.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.58 73.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.381 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.49 107.22 1.05 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.898 ' HB ' HG12 ' A' ' 72' ' ' VAL . 10.6 tt -138.55 53.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.515 1.15 . . . . 0.0 108.767 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 18.0 ttmt -85.23 17.21 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.407 -176.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -97.62 83.26 3.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.71 110.66 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.13 -174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -170.04 -37.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.254 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.3 tp 61.27 26.11 16.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.704 0.764 . . . . 0.0 109.361 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.33 -49.78 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.772 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.09 7.6 45.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.117 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.28 45.59 95.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.712 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.07 160.8 38.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 44' ' ' LEU . 11.4 p -111.14 134.43 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 0.0 110.381 177.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -131.4 106.71 8.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.898 HG12 ' HB ' ' A' ' 60' ' ' ILE . 26.9 m -130.34 146.65 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -137.42 131.84 32.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 172.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 166.9 -168.83 40.51 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.97 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 22' ' ' ASN . 73.9 mt -85.86 85.91 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.8 pt -81.03 144.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' B' ' 156' ' ' HIS . 16.8 t70 -104.94 -52.62 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.533 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.6 153.39 28.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HB3' ' B' ' 152' ' ' TYR . 85.6 mt -116.15 135.75 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 52' ' ' SER . 48.1 t -122.24 122.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.765 0.316 . . . . 0.0 110.55 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' HA ' ' B' ' 149' ' ' ALA . 0.2 OUTLIER -127.01 104.35 22.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.034 177.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.22 145.85 67.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.902 2.401 . . . . 0.0 111.903 177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' B' ' 149' ' ' ALA . 82.0 mt -98.31 -87.0 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.689 -175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -100.37 31.4 3.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 111.574 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -79.6 77.65 6.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.803 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 6.5 p80 -41.91 113.23 0.41 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.91 0.862 . . . . 0.0 112.301 -172.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -96.81 77.13 2.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.946 -171.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -138.4 -84.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.531 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.7 t60 176.45 102.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.706 0.629 . . . . 0.0 109.655 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.803 ' HB2' ' HE1' ' A' ' 86' ' ' HIS . 47.4 t-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.793 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' B' ' 91' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.907 0.384 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.6 24.03 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 111.372 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.704 HD22 HD21 ' B' ' 146' ' ' LEU . 1.2 p-10 -84.98 -16.84 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.521 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -83.03 136.25 34.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.087 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.03 137.56 48.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.525 173.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -102.27 126.54 49.3 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 57.9 tp -116.82 113.27 22.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.07 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.689 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 48.2 t -109.35 124.55 51.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.655 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.407 HD13 HD13 ' A' ' 26' ' ' LEU . 28.4 tp -134.11 158.62 43.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.311 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.485 HG22 ' HG2' ' B' ' 140' ' ' GLN . 70.1 p -127.28 155.22 43.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.488 ' HA3' HD11 ' B' ' 118' ' ' ILE . . . 94.57 17.08 40.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.184 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.77 113.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 m -84.86 -24.68 28.44 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.205 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -175.26 148.38 0.96 Allowed 'General case' 0 C--O 1.227 -0.083 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.869 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.99 106.94 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.523 HE21 ' HB2' ' B' ' 116' ' ' GLU . 68.8 mt-30 -76.59 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.348 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.3 t -129.47 125.32 36.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.672 ' HZ ' ' HA ' ' B' ' 132' ' ' LYS . 78.0 t80 -113.95 105.61 13.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.89 0.376 . . . . 0.0 111.053 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -132.45 139.13 33.8 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -59.01 -10.76 10.71 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.969 2.446 . . . . 0.0 113.975 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -108.98 -21.88 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.183 -0.323 . . . . 0.0 111.808 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 42.2 tt0 -153.96 112.39 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 111.347 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.62 128.89 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.063 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.67 104.61 15.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.445 HD13 HG11 ' B' ' 141' ' ' VAL . 95.3 mt -97.94 115.21 27.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.921 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.523 ' HB2' HE21 ' B' ' 106' ' ' GLN . 26.0 tt0 -75.76 114.87 14.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 16.0 p -119.06 -171.98 2.21 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.357 0.599 . . . . 0.0 111.324 -173.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 21' ' ' ASP . 16.0 mt -61.72 118.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.697 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 118' ' ' ILE . 6.5 pt20 63.07 3.3 1.23 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.918 1.287 . . . . 0.0 113.324 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.07 -165.47 22.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.334 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.76 122.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.17 119.34 34.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.116 0.484 . . . . 0.0 109.969 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.763 ' HB2' ' HB ' ' B' ' 151' ' ' VAL . 14.9 m -98.15 117.58 32.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.596 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 12.3 mm -101.7 117.98 47.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.451 ' HG2' ' HG3' ' B' ' 112' ' ' GLU . 27.6 mtpp -123.16 144.12 49.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.647 0.26 . . . . 0.0 111.187 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.412 ' HA2' ' OD2' ' B' ' 148' ' ' ASP . . . 165.02 -139.43 5.82 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.184 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.63 134.68 39.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.675 ' O ' ' HA3' ' B' ' 145' ' ' GLY . 36.2 ttmt 49.46 79.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.852 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.42 72.99 8.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.181 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.72 174.79 18.42 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.851 -1.068 . . . . 0.0 114.309 -171.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.723 HG13 ' HG2' ' B' ' 144' ' ' GLU . 62.8 mt 70.44 74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.894 0.854 . . . . 0.0 109.397 -169.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.672 ' HA ' ' HZ ' ' B' ' 108' ' ' PHE . 55.3 pttt -67.22 146.59 54.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.415 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -160.86 111.25 1.75 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 -4.97 33.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -96.88 176.48 5.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.995 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 41.3 tp -150.71 96.29 2.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.575 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -105.84 121.48 44.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.683 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 71.6 -0.54 3.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.087 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.07 39.58 88.7 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.901 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' B' ' 100' ' ' THR . 22.1 mt-30 -122.73 159.66 27.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.445 HG11 HD13 ' B' ' 115' ' ' LEU . 9.5 p -146.77 133.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 44.3 tt0 -130.12 113.93 15.11 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 30.6 m -113.79 154.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.723 ' HG2' HG13 ' B' ' 131' ' ' ILE . 6.3 pt-20 -131.2 125.64 33.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.675 ' HA3' ' O ' ' B' ' 128' ' ' LYS . . . 163.36 -154.23 25.06 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.425 -1.369 . . . . 0.0 113.463 176.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.704 HD21 HD22 ' B' ' 93' ' ' ASN . 37.3 mt -101.86 86.5 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.318 -0.441 . . . . 0.0 110.142 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.96 133.59 29.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.365 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.412 ' OD2' ' HA2' ' B' ' 126' ' ' GLY . 37.3 m-20 -104.37 -46.79 4.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 83' ' ' LEU . . . -139.38 139.16 37.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.527 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.488 ' H ' ' CB ' ' A' ' 81' ' ' TYR . 76.9 mt -115.66 113.18 23.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' B' ' 123' ' ' SER . 49.0 t -109.6 118.81 57.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 -173.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -130.78 107.81 15.49 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.84 144.49 98.53 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.463 2.109 . . . . 0.0 111.667 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' B' ' 156' ' ' HIS . 86.5 mt -68.71 89.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.25 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -94.9 16.45 16.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.773 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . 0.612 ' HB3' ' OD1' ' A' ' 77' ' ' ASP . 8.6 p-80 -80.49 38.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.104 0.478 . . . . 0.0 110.154 173.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -78.52 84.1 4.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.092 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -106.71 -19.65 13.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.784 -175.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -84.75 86.01 7.38 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 122.132 0.968 . . . . 0.0 109.87 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -165.44 102.3 0.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.948 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.638 178.173 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -100.99 99.66 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.099 0.476 . . . . 0.0 111.157 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' HA ' HD13 ' B' ' 118' ' ' ILE . 8.1 p30 -131.04 -14.59 3.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.054 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HA ' HD23 ' A' ' 75' ' ' LEU . 11.5 ptp180 -85.87 133.18 33.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.58 0.705 . . . . 0.0 110.121 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.64 142.7 40.41 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.029 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' B' ' 100' ' ' THR . 43.9 m-85 -97.25 127.44 43.22 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -118.65 116.98 27.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.826 0.346 . . . . 0.0 110.6 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 4.7 m -115.01 110.68 19.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD22 HD22 ' A' ' 51' ' ' LEU . 29.3 tp -112.82 126.17 55.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.532 HG23 ' HG2' ' A' ' 69' ' ' GLN . 26.9 m -106.77 130.88 54.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.191 177.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.77 22.66 3.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.968 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 43.7 t -88.88 111.38 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -79.5 -33.7 41.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -155.05 142.87 19.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.564 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.46 116.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 173.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -72.89 -49.54 29.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.512 . . . . 0.0 110.684 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 m -152.03 142.57 22.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -123.5 105.37 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -123.73 150.71 62.63 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -15.31 36.53 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.989 2.459 . . . . 0.0 112.981 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -103.27 -30.36 10.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 37.7 tt0 -149.11 130.65 14.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -170.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.1 mt -119.67 128.17 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.911 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.15 114.97 29.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.409 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 HD23 ' A' ' 51' ' ' LEU . 86.2 mt -109.52 118.19 35.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.248 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.93 106.99 18.17 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 31' ' ' VAL . 72.6 p -109.11 175.7 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.56 -171.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -32.38 -61.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.448 1.092 . . . . 0.0 113.001 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -140.41 60.69 1.53 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.534 0.683 . . . . 0.0 109.915 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.69 175.58 36.33 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.806 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.743 ' O ' ' HD2' ' A' ' 82' ' ' PRO . 47.4 t -125.42 141.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 44' ' ' LEU . 61.0 tp -108.75 124.53 50.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -107.33 102.77 12.04 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 35.1 mt -89.79 112.71 24.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG2' ' OE2' ' A' ' 41' ' ' GLU . 54.5 mttm -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.19 0.306 . . . . 0.0 110.442 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.21 -149.64 19.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.675 176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.73 138.58 54.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.808 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 16.3 tppt? 62.88 88.31 0.1 Allowed 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 110.471 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.87 71.26 0.88 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.257 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.52 131.72 10.78 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.533 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.768 ' HB ' HG12 ' A' ' 72' ' ' VAL . 2.0 tp -126.09 -68.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 171.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.689 ' H ' HG23 ' A' ' 60' ' ' ILE . 20.0 tptm -159.1 -91.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.208 -0.197 . . . . 0.0 110.698 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 28.2 t-80 169.2 -57.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -174.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -117.07 92.93 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.034 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 1.2 p-10 -142.26 -102.95 0.13 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.223 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tt 69.0 -37.9 0.38 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.609 0.764 . . . . 0.0 111.053 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 64' ' ' ASP . 14.2 tmtt? 68.85 -80.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.588 0.755 . . . . 0.0 110.788 174.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.24 58.14 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.214 0.53 . . . . 0.0 109.932 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 31' ' ' VAL . . . 83.22 13.92 75.7 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.046 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HG2' HG23 ' A' ' 29' ' ' THR . 53.8 mt-30 -117.89 110.67 18.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.947 0.403 . . . . 0.0 110.26 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG21 HD22 ' A' ' 44' ' ' LEU . 98.5 t -108.14 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.667 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 60' ' ' ILE . 39.9 tt0 -125.54 105.96 9.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.768 HG12 ' HB ' ' A' ' 60' ' ' ILE . 35.8 m -121.09 163.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.009 -175.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.91 142.66 51.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.906 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.808 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . 161.26 -162.35 33.69 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.268 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ARG . 23.9 mt -103.74 87.93 2.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.793 0.33 . . . . 0.0 110.118 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.84 132.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.29 0.566 . . . . 0.0 111.042 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.92 -52.82 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.997 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.12 143.22 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.967 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 85.0 mt -119.85 117.96 29.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.516 176.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.98 133.09 66.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CD2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.99 96.85 41.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.743 ' HD2' ' O ' ' A' ' 50' ' ' VAL . 44.7 Cg_endo -71.15 131.49 19.37 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.504 2.136 . . . . 0.0 112.68 178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' B' ' 149' ' ' ALA . 88.9 mt -119.92 165.85 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 66.6 118.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.228 0.955 . . . . 0.0 112.753 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -89.07 88.95 7.76 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -74.82 124.1 26.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.829 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -96.49 142.81 28.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.604 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -91.31 147.21 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -98.85 2.78 47.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.585 0.707 . . . . 0.0 110.303 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.611 175.183 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.55 0.215 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' H ' ' B' ' 93' ' ' ASN . 13.1 m-20 -85.8 -153.54 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' B' ' 92' ' ' ASP . 0.2 OUTLIER 78.52 -28.08 0.16 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.535 0.734 . . . . 0.0 109.857 -178.008 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.53 93.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.693 0.759 . . . . 0.0 109.209 172.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -90.05 157.09 17.96 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.494 -171.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -105.97 113.4 26.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.475 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -115.1 116.97 29.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.362 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 22.9 t -117.84 126.5 52.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.978 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 125.52 46.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.592 HG23 ' HG2' ' B' ' 140' ' ' GLN . 15.5 m -108.21 100.73 10.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.02 53.06 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.35 138.86 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 26.4 t -88.18 -55.4 3.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -144.68 148.09 33.82 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.275 -0.265 . . . . 0.0 110.614 -174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.6 126.59 51.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -95.78 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.031 0.443 . . . . 0.0 110.873 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' B' ' 114' ' ' LEU . 38.8 t -115.15 123.57 49.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -124.62 102.73 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.352 0.596 . . . . 0.0 111.524 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' B' ' 111' ' ' LYS . 17.1 t70 -134.62 145.47 55.1 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.72 11.04 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.241 1.961 . . . . 0.0 113.471 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.796 ' HG2' ' HA ' ' B' ' 127' ' ' GLU . 36.5 mtmm -129.21 -14.15 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.053 -0.404 . . . . 0.0 111.495 173.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' B' ' 124' ' ' ILE . 31.1 tt0 -152.31 113.08 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.05 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.725 HD13 HD11 ' B' ' 131' ' ' ILE . 50.9 mt -120.76 117.47 53.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.361 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.479 ' HB2' ' H ' ' B' ' 107' ' ' SER . 90.4 mt -97.79 96.76 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.482 HD13 HG11 ' B' ' 141' ' ' VAL . 83.3 mt -93.54 110.95 22.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.247 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -77.63 111.2 13.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.3 0.572 . . . . 0.0 109.644 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -87.77 178.61 6.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.717 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ASN . 57.7 mt -51.67 -36.69 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.41 -174.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -134.76 19.45 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -170.12 -155.54 10.3 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 119.571 -1.299 . . . . 0.0 112.994 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.13 139.32 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -114.24 119.6 37.57 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.893 ' HB3' ' HB ' ' B' ' 151' ' ' VAL . 32.9 t -96.81 111.45 23.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 0.0 110.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' B' ' 112' ' ' GLU . 4.5 mm -90.39 116.1 31.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -106.79 145.36 32.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.56 -145.59 11.08 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.147 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.796 ' HA ' ' HG2' ' B' ' 111' ' ' LYS . 9.4 pt-20 -149.26 149.99 31.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 66.14 23.09 11.02 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.356 0.41 . . . . 0.0 111.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.0 73.66 0.28 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.383 0.673 . . . . 0.0 112.218 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.8 131.25 10.26 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.681 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.833 HG12 HG22 ' B' ' 143' ' ' VAL . 53.9 mt -104.34 128.48 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -123.41 27.9 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.625 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -157.9 142.95 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.581 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -150.7 -177.62 6.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.955 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.688 ' HB3' ' HA3' ' B' ' 139' ' ' GLY . 18.7 t70 -137.97 -81.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.167 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.54 ' CG ' ' H ' ' B' ' 137' ' ' LYS . 0.3 OUTLIER -89.93 -99.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.54 ' H ' ' CG ' ' B' ' 136' ' ' LEU . 90.7 mttt -89.61 -33.99 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 170.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -136.7 -73.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.324 172.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . 0.688 ' HA3' ' HB3' ' B' ' 135' ' ' ASP . . . 69.54 -99.47 0.66 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.828 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.592 ' HG2' HG23 ' B' ' 100' ' ' THR . 78.6 mt-30 -107.49 110.1 21.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.482 HG11 HD13 ' B' ' 115' ' ' LEU . 13.6 p -106.54 143.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.366 0.603 . . . . 0.0 111.22 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -134.13 106.8 7.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.327 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.833 HG22 HG12 ' B' ' 131' ' ' ILE . 27.5 t -110.25 131.5 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.559 -176.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -127.98 130.1 47.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.335 . . . . 0.0 110.101 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 163.31 -175.71 39.56 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.026 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.55 ' HB2' ' HG3' ' B' ' 127' ' ' GLU . 3.2 mm? -80.59 89.84 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.01 145.57 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.392 0.615 . . . . 0.0 110.773 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.59 -54.78 2.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.305 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 83' ' ' LEU . . . -167.72 169.97 11.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.827 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.48 ' H ' ' HB2' ' A' ' 81' ' ' TYR . 4.4 mm? -116.3 127.09 54.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.479 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . 0.893 ' HB ' ' HB3' ' B' ' 123' ' ' SER . 63.2 t -115.63 113.32 43.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.52 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -118.32 130.23 24.89 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.495 ' O ' ' HB2' ' B' ' 154' ' ' LEU . 30.1 Cg_endo -63.61 -152.99 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.239 2.626 . . . . 0.0 112.581 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 153' ' ' PRO . 9.4 mp 74.36 -71.12 0.14 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.967 0.507 . . . . 0.0 110.22 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -94.46 -47.43 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.942 0.401 . . . . 0.0 110.285 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' B' ' 152' ' ' TYR . 69.8 t60 -85.83 44.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.436 0.636 . . . . 0.0 110.798 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -172.04 93.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.8 148.16 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.847 0.356 . . . . 0.0 111.299 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -115.84 -16.67 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.719 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -45.67 108.5 0.13 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.614 0.571 . . . . 0.0 112.453 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.293 -0.86 . . . . 0.0 109.61 179.454 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.1 0.476 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -151.44 144.7 24.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' B' ' 118' ' ' ILE . 3.2 t30 -81.09 -4.98 57.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.778 ' HG2' ' HG ' ' A' ' 75' ' ' LEU . 27.2 mtp85 -77.22 117.61 18.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -107.4 149.64 27.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-30 -97.54 114.97 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' HG23 ' A' ' 72' ' ' VAL . 38.0 tp -109.84 111.68 23.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.98 0.419 . . . . 0.0 110.616 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.812 ' HB2' ' HB3' ' B' ' 98' ' ' SER . 18.6 m -111.08 118.72 36.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.65 134.53 52.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -106.51 162.63 13.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.357 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.22 55.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.433 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.85 121.9 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -87.19 -44.89 11.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.431 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -160.07 147.88 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 -173.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -92.92 121.91 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -79.19 -45.48 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.572 . . . . 0.0 110.305 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 t -148.2 127.32 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.279 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -113.31 106.59 14.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.137 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -129.63 139.59 36.11 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.85 -24.27 13.24 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.309 2.673 . . . . 0.0 114.174 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 31.7 mtpt -105.69 -6.06 19.48 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -169.12 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.977 0.417 . . . . 0.0 111.288 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.9 mt -112.86 124.66 69.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.572 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -99.03 101.95 13.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.901 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.55 120.25 37.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.616 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.32 114.49 20.83 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 t -120.49 -163.52 1.02 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.142 -173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 47' ' ' ILE . 33.8 pt -57.73 108.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.499 0.666 . . . . 0.0 112.167 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 66.31 0.92 1.85 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.926 -1.033 . . . . 0.0 113.178 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.79 -173.41 30.41 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.307 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.83 140.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -110.8 126.42 54.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.312 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.2 t -96.2 107.75 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.434 HG22 HD21 ' A' ' 58' ' ' LEU . 60.0 mt -104.67 110.6 31.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.194 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 5.9 mtmp? -106.83 150.1 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 168.58 -161.15 34.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.732 178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -117.96 133.67 55.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.993 0.117 . . . . 0.0 111.017 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 50.6 64.44 1.82 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.965 0.791 . . . . 0.0 112.436 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 HG22 ' A' ' 53' ' ' ILE . 10.1 mp -88.96 73.38 8.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.959 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.16 -153.23 7.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.953 -177.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.4 mt 75.83 109.49 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.99 90.33 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.09 -1.414 . . . . 0.0 114.322 167.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -174.22 93.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.948 172.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.79 7.29 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 110.338 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.88 -72.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.127 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.5 tp 60.06 29.77 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.834 0.826 . . . . 0.0 109.331 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -79.5 -28.49 41.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.907 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.22 24.91 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.935 0.398 . . . . 0.0 110.746 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.02 10.82 73.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.287 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -92.67 124.07 36.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.443 0.297 . . . . 0.0 110.511 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.09 123.64 64.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -109.06 122.73 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.247 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 26' ' ' LEU . 16.3 m -123.91 132.14 71.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.907 0.384 . . . . 0.0 110.067 175.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 38.3 tt0 -115.05 125.63 53.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.2 -170.3 42.39 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.864 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.778 ' HG ' ' HG2' ' A' ' 23' ' ' ARG . 2.8 mp -105.4 90.15 3.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.0 pt -66.8 142.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.757 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.16 -48.97 4.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.321 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.501 ' HB3' ' HE3' ' A' ' 54' ' ' LYS . . . -160.97 146.1 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.82 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' CB ' ' B' ' 152' ' ' TYR . 88.7 mt -116.38 119.42 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.41 118.28 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.934 0.397 . . . . 0.0 110.762 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -113.6 109.65 50.58 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.59 106.91 2.19 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.808 2.339 . . . . 0.0 111.957 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' B' ' 149' ' ' ALA . 2.3 pt? -121.4 -11.39 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.32 128.02 24.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.346 0.593 . . . . 0.0 111.406 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -88.17 147.21 24.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.077 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -91.88 84.27 5.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.415 0.626 . . . . 0.0 112.132 -172.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -109.95 -42.18 4.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 167.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -135.62 131.71 36.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.008 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -90.59 100.57 13.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.67 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.417 -176.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' B' ' 91' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.62 -7.1 23.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.487 ' CG ' HD23 ' B' ' 146' ' ' LEU . 11.5 t-20 -158.82 172.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 175.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.551 ' HG2' ' HG ' ' B' ' 146' ' ' LEU . 66.1 mtp180 69.67 113.26 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.987 -177.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -116.53 149.34 39.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -102.41 113.22 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.228 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 142' ' ' GLU . 51.3 tp -99.12 107.46 19.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.812 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 16.3 t -110.36 120.57 42.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 42.7 tp -139.55 139.89 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.422 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 67.7 p -106.01 167.72 9.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.075 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.76 20.79 42.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.814 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 52.0 t -86.91 129.44 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 13.1 p -106.17 -18.34 14.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.843 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -171.99 148.87 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.297 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 50.9 t -91.16 109.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' B' ' 116' ' ' GLU . 11.0 mm100 -71.47 -54.83 9.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.471 . . . . 0.0 110.893 -175.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -149.8 146.59 27.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.899 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.518 ' CE1' HG22 ' B' ' 131' ' ' ILE . 31.1 t80 -129.74 106.76 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.258 0.552 . . . . 0.0 111.082 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -132.43 140.58 38.35 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.67 -8.96 4.76 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.909 2.406 . . . . 0.0 114.065 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' B' ' 126' ' ' GLY . 63.0 mttp -114.15 -17.23 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.541 0.21 . . . . 0.0 111.56 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.522 ' HB2' ' HE3' ' B' ' 125' ' ' LYS . 35.6 tt0 -153.1 116.58 4.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.252 0.549 . . . . 0.0 111.447 -175.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 129' ' ' LEU . 59.5 mt -115.88 129.79 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 123' ' ' SER . 85.6 mt -114.84 123.26 48.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.17 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.501 HD13 HG11 ' B' ' 141' ' ' VAL . 85.8 mt -121.62 127.66 51.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' B' ' 106' ' ' GLN . 29.6 tt0 -81.38 131.23 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 45.7 p -122.34 -178.88 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.374 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 22' ' ' ASN . 41.0 mt -38.07 -53.48 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 124.133 0.973 . . . . 0.0 113.487 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.12 19.5 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.26 -152.65 8.94 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.498 -1.334 . . . . 0.0 113.254 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.52 ' O ' ' HD2' ' B' ' 153' ' ' PRO . 38.2 t -137.67 152.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 tp -116.49 136.27 53.13 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.404 ' HA ' HD23 ' B' ' 114' ' ' LEU . 33.6 t -114.6 118.14 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.992 0.425 . . . . 0.0 110.233 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.34 120.71 59.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 112' ' ' GLU . 13.8 mmmm -116.63 136.17 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.997 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 147' ' ' ILE . . . 167.1 -149.17 14.34 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.28 152.11 44.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.625 0.25 . . . . 0.0 110.891 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 48.0 tttm 64.14 28.21 14.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.356 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.404 ' HB3' HD11 ' B' ' 113' ' ' ILE . 7.7 mp -72.23 72.97 0.94 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.09 178.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.81 149.06 18.42 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.741 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.579 ' HB ' HG12 ' B' ' 143' ' ' VAL . 8.8 tt -140.58 153.42 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.5 164.48 12.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -78.81 79.83 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.856 0.836 . . . . 0.0 110.447 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 134' ' ' LEU . 0.6 OUTLIER -86.6 -6.57 58.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.381 -178.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 72.16 156.17 0.16 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.182 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.0 79.55 6.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.787 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' B' ' 137' ' ' LYS . 44.5 mmtt -132.83 141.23 48.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.95 174.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 71.15 -4.65 1.73 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 124.035 0.835 . . . . 0.0 111.12 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.47 35.77 92.35 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.746 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -117.74 137.05 52.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 111.038 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' VAL . . . . . 0.501 HG11 HD13 ' B' ' 115' ' ' LEU . 11.4 p -126.33 148.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.209 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' B' ' 97' ' ' LEU . 41.7 tt0 -146.77 111.14 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.579 HG12 ' HB ' ' B' ' 131' ' ' ILE . 34.3 m -117.29 156.19 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -120.65 141.1 50.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.06 172.08 36.18 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.135 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . 0.551 ' HG ' ' HG2' ' B' ' 94' ' ' ARG . 4.2 mp -92.95 89.25 6.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' B' ' 126' ' ' GLY . 19.0 pt -82.67 134.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.241 -175.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.93 -20.8 17.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.596 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -158.76 138.62 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.155 0.502 . . . . 0.0 111.586 -177.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 82.8 mt -115.95 114.29 24.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' VAL . . . . . . . . . . . . . 55.0 t -120.06 117.41 53.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.172 0.51 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.428 ' CB ' ' H ' ' A' ' 79' ' ' LEU . 1.6 t80 -103.57 103.05 33.81 Favored Pre-proline 0 C--N 1.317 -0.84 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 171.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' PRO . . . . . 0.52 ' HD2' ' O ' ' B' ' 121' ' ' VAL . 37.8 Cg_exo -25.24 97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 125.208 3.939 . . . . 0.0 114.744 -173.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 59.9 tp -115.35 111.28 20.62 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.053 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.87 80.01 0.89 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.553 0.692 . . . . 0.0 110.208 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -61.89 138.58 58.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.445 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -53.42 109.18 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.558 0.694 . . . . 0.0 111.534 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -140.0 48.58 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.813 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -76.3 57.39 1.15 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.663 0.744 . . . . 0.0 109.641 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -171.98 131.1 0.65 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.422 -1.263 . . . . 0.0 107.722 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' HIS . . . . . . . . . . . . . 12.9 t60 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.06 -176.971 . . . . . . . . 0 0 . 1 stop_ save_